UCSF

ZINC44510319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 13 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) -0.08 1.77 -37.04 2 3 1 29 185.291 3
Hi High (pH 8-9.5) -0.08 0.41 -3.25 1 3 0 24 184.283 3

Activity (Go SEA)

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