UCSF

ZINC34670368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 5.03 11.55 -7.17 0 2 0 16 338.454 5
Mid Mid (pH 6-8) 5.03 13.88 -48.05 1 2 1 17 339.462 5

Activity (Go SEA)

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