UCSF

ZINC39781797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 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) 1.97 6.24 -115.73 3 3 2 30 236.359 5
Mid Mid (pH 6-8) 1.97 4.88 -34.73 2 3 1 26 235.351 5

Activity (Go SEA)

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