UCSF

ZINC60700122

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 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) 3.86 8.53 -35.78 2 1 1 17 271.222 6
Hi High (pH 8-9.5) 3.86 7.66 -1.88 1 1 0 12 270.214 6

Activity (Go SEA)

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