UCSF

ZINC34547531

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 5.71 12.96 -40.89 1 1 1 4 359.331 5
Mid Mid (pH 6-8) 5.71 11.37 -2.7 0 1 0 3 358.323 5

Activity (Go SEA)

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