UCSF

ZINC43978200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.88 8.43 -87.37 3 3 2 24 291.483 7
Hi High (pH 8-9.5) 2.88 7.3 -34.68 2 3 1 20 290.475 7
Hi High (pH 8-9.5) 2.88 6.8 -33.38 2 3 1 20 290.475 7
Mid Mid (pH 6-8) 2.88 10.71 -195.65 4 3 3 25 292.491 7

Activity (Go SEA)

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