UCSF

ZINC20467621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 3.02 3.68 -8.28 3 5 0 85 356.245 3
Mid Mid (pH 6-8) 3.02 3.72 -41.3 2 5 -1 87 355.237 3

Activity (Go SEA)

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