UCSF

ZINC20558817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 5.24 9.89 -35.06 2 2 1 16 372.396 5
Hi High (pH 8-9.5) 5.24 7.42 -1.71 1 2 0 15 371.388 5
Mid Mid (pH 6-8) 5.24 11.1 -117.79 3 2 2 21 373.404 5
Mid Mid (pH 6-8) 5.24 8.95 -40.05 2 2 1 20 372.396 5

Activity (Go SEA)

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