UCSF

ZINC43906260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 1.46 5.43 -111.29 3 3 2 30 214.353 5
Hi High (pH 8-9.5) 1.46 1.94 -1.67 1 3 0 24 212.337 5
Hi High (pH 8-9.5) 1.46 3.5 -34.09 2 3 1 29 213.345 5
Mid Mid (pH 6-8) 1.46 4.38 -30.1 2 3 1 26 213.345 5

Activity (Go SEA)

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