UCSF

ZINC51889541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 15 Yes

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) 3.04 6.89 -99.89 3 2 2 21 212.381 3
Mid Mid (pH 6-8) 3.04 4.84 -36.48 2 2 1 20 211.373 3

Activity (Go SEA)

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