UCSF

ZINC34469467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 0.78 2.15 -9 3 4 0 72 232.283 2
Mid Mid (pH 6-8) 0.78 2.48 -52.68 4 4 1 74 233.291 2

Activity (Go SEA)

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