UCSF

ZINC00910015

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) 3.28 12.01 -9.05 1 9 0 85 372.429 5
Mid Mid (pH 6-8) 3.28 12.46 -29.62 2 9 1 86 373.437 5

Activity (Go SEA)

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