UCSF

ZINC20997677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 1.78 5.17 -42.7 2 5 1 46 338.516 5
Mid Mid (pH 6-8) 1.77 7.68 -104.16 3 5 2 47 339.524 5
Lo Low (pH 4.5-6) 1.78 5.19 -39.32 2 5 1 46 338.516 5

Activity (Go SEA)

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