UCSF

ZINC34480470

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 0.25 0.82 -6.56 4 5 0 77 194.238 1
Mid Mid (pH 6-8) 0.25 1.15 -26.65 5 5 1 79 195.246 1

Activity (Go SEA)

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