UCSF

ZINC60222429

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 15 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) 1.78 3.02 -38.61 3 3 1 46 210.297 7
Hi High (pH 8-9.5) 1.78 1.75 -5.51 2 3 0 41 209.289 7

Activity (Go SEA)

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