UCSF

ZINC54954730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 Yes

Popular Name: L-Proline benzyl ester hydrochloride L-Proline benzyl ester hydrochlo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 16652-71-4 , 53843-90-6 , 60668-01-1 , 80089-24-3 , 80089-25-4 , [16652-71-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 5.31 -7.21 1 3 0 38 205.257 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 143 Enamine Building Blocks
MP 141...143 Enamine Building Blocks
MP 146 TCI
Melting_Point 146-148? Alfa-Aesar
Melting_Point 146-148° Alfa-Aesar
MP 148 - 151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics
Purity ¡Ý98% min APIChem

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.