UCSF

ZINC44648240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.84 0.64 -51.89 4 6 1 92 286.377 7
Hi High (pH 8-9.5) 0.84 -0.71 -13.6 3 6 0 87 285.369 7

Activity (Go SEA)

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