UCSF

ZINC40268170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 3.05 9.99 -37.34 2 6 1 63 339.448 3
Hi High (pH 8-9.5) 3.05 7.79 -14.41 1 6 0 62 338.44 3

Activity (Go SEA)

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