UCSF

ZINC20434346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 0.61 2.45 -46.34 3 4 1 57 233.291 1
Hi High (pH 8-9.5) 0.61 1.17 -17.17 2 4 0 53 232.283 1

Activity (Go SEA)

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