UCSF

ZINC39781793

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) 1.93 7.17 -104.2 3 3 2 30 236.359 5
Mid Mid (pH 6-8) 1.93 5.77 -27.4 2 3 1 26 235.351 5

Activity (Go SEA)

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