UCSF

ZINC34676243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 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) 1.08 1.87 -41.57 4 4 1 66 252.334 4
Hi High (pH 8-9.5) 1.08 1.55 -5.96 3 4 0 65 251.326 4

Activity (Go SEA)

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