UCSF

ZINC23282683

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 2.41 4.92 -37.59 2 3 1 28 249.378 4
Hi High (pH 8-9.5) 2.41 2.65 -6.45 1 3 0 27 248.37 4
Mid Mid (pH 6-8) 2.41 5.13 -38.28 2 3 1 28 249.378 4

Activity (Go SEA)

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