UCSF

ZINC34656007

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 3.20 8.44 -95.75 3 4 2 40 296.455 11
Hi High (pH 8-9.5) 3.20 6.23 -34.23 2 4 1 38 295.447 11

Activity (Go SEA)

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