UCSF

ZINC34671974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.18 9.47 -18.84 1 6 0 66 384.455 5
Lo Low (pH 4.5-6) 3.18 9.79 -45.91 2 6 1 67 385.463 5

Activity (Go SEA)

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