UCSF

ZINC12520191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 25 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) 3.56 10.5 -20.57 1 5 0 60 348.431 3
Mid Mid (pH 6-8) 3.56 10.8 -40.46 2 5 1 61 349.439 3

Activity (Go SEA)

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