UCSF

ZINC19636227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 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) 2.57 6.85 -32.78 1 3 1 11 290.475 7
Mid Mid (pH 6-8) 2.57 9.65 -84.9 2 3 2 12 291.483 7
Lo Low (pH 4.5-6) 2.57 11.57 -191.2 3 3 3 13 292.491 7
Lo Low (pH 4.5-6) 2.57 9.33 -105.86 2 3 2 12 291.483 7

Activity (Go SEA)

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