UCSF

ZINC00906510

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 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) 5.08 0.62 -12.27 2 5 0 58 367.493 6
Mid Mid (pH 6-8) 5.08 0.8 -30.48 3 5 1 60 368.501 6

Activity (Go SEA)

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