UCSF

ZINC44647582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.05 5.94 -101.53 4 4 2 50 237.347 6
Hi High (pH 8-9.5) 1.05 4.92 -45.06 3 4 1 46 236.339 6

Activity (Go SEA)

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