UCSF

ZINC41198303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 2.31 6.2 -31.27 2 3 1 39 261.37 5
Hi High (pH 8-9.5) 2.31 5.11 -6.52 1 3 0 34 260.362 5

Activity (Go SEA)

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