UCSF

ZINC00417884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 4.19 0.24 -10.73 1 3 0 29 291.398 3
Mid Mid (pH 6-8) 4.19 0.42 -24.42 2 3 1 30 292.406 3

Activity (Go SEA)

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