UCSF

ZINC44509056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 0.10 -0.88 -49.14 4 6 1 96 292.406 4
Mid Mid (pH 6-8) 0.56 -3.18 -69.21 3 6 0 99 291.398 4

Activity (Go SEA)

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