UCSF

ZINC43439837

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 No

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) 1.31 0.4 -13.47 2 6 0 89 235.195 3
Hi High (pH 8-9.5) 1.31 1.32 -41.5 1 6 -1 92 234.187 3
Hi High (pH 8-9.5) 1.31 1.32 -46.32 1 6 -1 92 234.187 3

Activity (Go SEA)

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