UCSF

ZINC40012103

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.48 10.38 -34.99 1 3 1 31 262.373 7
Hi High (pH 8-9.5) 3.48 8.31 -5.99 0 3 0 30 261.365 7

Activity (Go SEA)

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