UCSF

ZINC22037108

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 3.68 8.33 -35.75 1 3 1 17 277.432 6
Hi High (pH 8-9.5) 3.68 5.87 -3.95 0 3 0 16 276.424 6
Mid Mid (pH 6-8) 3.68 8.19 -37.39 1 3 1 17 277.432 6

Activity (Go SEA)

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