UCSF

ZINC21994375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 0.41 6.55 -44.84 1 4 0 67 229.235 2
Hi High (pH 8-9.5) 1.71 6.15 -50.94 0 4 -1 70 228.227 2

Activity (Go SEA)

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