UCSF

ZINC69943862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: (1S)-2-(2-amino-3-pyridyl)-1-(4-pyridyl)ethanol (1S)-2-(2-amino-3-pyridyl)-1-(4-…

Find On: PubMed — Wikipedia — Google

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) 0.18 2.91 -36.19 4 4 1 73 216.264 3 ↓
Mid Mid (pH 6-8) 0.18 2.44 -9.25 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) 0.18 3.37 -80.66 5 4 2 75 217.272 3 ↓

Activity (Go SEA)

Rings

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

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