UCSF

ZINC37080979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.39 6.39 -37.1 3 3 1 44 231.319 4
Mid Mid (pH 6-8) 0.39 4.77 -39.97 3 3 1 44 231.319 4
Mid Mid (pH 6-8) 0.39 6.72 -122.89 4 3 2 45 232.327 4

Activity (Go SEA)

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