UCSF

ZINC43915331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 1.67 4.49 -35.38 2 3 1 29 235.351 5
Hi High (pH 8-9.5) 1.67 2.37 -3.76 1 3 0 24 234.343 5
Mid Mid (pH 6-8) 1.67 6.43 -113.76 3 3 2 30 236.359 5

Activity (Go SEA)

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