UCSF

ZINC59245335

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 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) 4.14 8.35 -13.4 3 2 0 30 235.395 5
Hi High (pH 8-9.5) 4.14 7.94 -2.52 2 2 0 29 234.387 5

Activity (Go SEA)

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