UCSF

ZINC53118266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 0.72 0.37 -37.52 4 5 1 76 290.424 10
Hi High (pH 8-9.5) 0.72 -0.9 -7.97 3 5 0 71 289.416 10

Activity (Go SEA)

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