UCSF

ZINC00154757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride (S)-2-Amino-3-cyclohexylpropan-1…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 117160-99-3 , 131288-67-0 , 205445-49-4 , 3182-95-4 , [117160-99-3] , [205445-49-4]

Download: MOL2 SDF SMILES Flexibase

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) 1.29 0.85 -40.88 4 2 1 48 158.265 3 ↓
Hi High (pH 8-9.5) 1.29 0.57 -3.45 3 2 0 46 157.257 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.96e+00 g/l DrugBank-experimental
Melting_Point 89-94? Alfa-Aesar
Melting_Point 89-94° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0331105A2 IBM Patent Data

Activity (Go SEA)

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

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