UCSF

ZINC00153937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 9 Yes

Popular Name: 3-(Aminomethyl)phenol 3-(Aminomethyl)phenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13269-15-3 , 73604-31-6 , 85262-76-6 , [73604-31-6]

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) 0.62 -0.32 -45.56 4 2 1 48 124.163 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 143 Enamine Building Blocks
MP 141...143 Enamine Building Blocks
MP 144 - 146 Enamine Building Blocks
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
MP 165-168° Matrix Scientific
Melting_Point 170-173? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
Warnings Corrosive Matrix Scientific

Activity (Go SEA)

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

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