UCSF

ZINC43399665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) -0.43 4.85 -9.4 3 6 0 88 271.324 4
Mid Mid (pH 6-8) -0.43 5.27 -33.12 4 6 1 89 272.332 4
Lo Low (pH 4.5-6) -0.43 5.73 -85.66 5 6 2 90 273.34 4

Activity (Go SEA)

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