UCSF

ZINC22468595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 30 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) 4.26 11.84 -4.73 0 4 0 21 403.57 9
Mid Mid (pH 6-8) 4.26 12.9 -38.86 1 4 1 22 404.578 9
Lo Low (pH 4.5-6) 4.26 14.21 -49.19 1 4 1 22 404.578 9

Activity (Go SEA)

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