UCSF

ZINC44627956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) -0.92 2.37 -49.12 1 7 -1 85 272.325 6
Mid Mid (pH 6-8) -0.92 4.75 -68.82 2 7 0 86 273.333 6

Activity (Go SEA)

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