UCSF

ZINC37795012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.68 5.51 -54.01 1 7 -1 95 290.299 4
Mid Mid (pH 6-8) 0.68 5.84 -52.77 2 7 0 96 291.307 4
Lo Low (pH 4.5-6) 0.68 3.73 -35.96 3 7 1 93 292.315 4

Activity (Go SEA)

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