UCSF

ZINC40150976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 30 No

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) -0.79 14.06 -102.81 3 7 2 75 412.534 10
Hi High (pH 8-9.5) -0.79 11.95 -37.73 2 7 1 74 411.526 10

Activity (Go SEA)

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