UCSF

ZINC43710125

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 0.59 5.23 -57.91 2 4 1 46 271.287 3
Hi High (pH 8-9.5) 0.59 3.87 -15.61 1 4 0 42 270.279 3

Activity (Go SEA)

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