UCSF

ZINC01223597

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2004 26 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) 3.52 0.99 -14.27 1 5 0 75 367.405 5
Lo Low (pH 4.5-6) 3.52 1.12 -42.05 2 5 1 76 368.413 5

Activity (Go SEA)

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