UCSF

ZINC54814286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 24 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) 2.33 5.25 -12.24 1 5 0 54 349.5 7
Mid Mid (pH 6-8) 2.33 7.53 -49.09 2 5 1 56 350.508 7

Activity (Go SEA)

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