UCSF

ZINC22326632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 22 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) 3.75 5.52 -8.67 2 5 0 65 317.776 3
Mid Mid (pH 6-8) 3.75 6.38 -49.62 1 5 -1 68 316.768 3
Mid Mid (pH 6-8) 3.75 5.73 -37.71 3 5 1 67 318.784 3

Activity (Go SEA)

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