UCSF

ZINC00593458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 28 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) 5.02 5.5 -15.04 0 4 0 53 382.32 3
Mid Mid (pH 6-8) 5.02 5.77 -42.05 1 4 1 55 383.328 3

Activity (Go SEA)

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