UCSF

ZINC32592838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 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) 2.17 8.05 -105.39 3 4 2 37 295.471 8
Mid Mid (pH 6-8) 2.17 10.13 -197.84 4 4 3 39 296.479 8
Mid Mid (pH 6-8) 2.17 8.46 -81.14 3 4 2 34 295.471 8

Activity (Go SEA)

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