UCSF

ZINC37854798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.23 1.07 -113.87 4 5 2 54 273.421 7
Mid Mid (pH 6-8) -0.23 3.87 -104.04 4 5 2 58 273.421 7
Mid Mid (pH 6-8) -0.23 -0.23 -34.17 3 5 1 49 272.413 7
Mid Mid (pH 6-8) -0.23 2.03 -81.83 4 5 2 50 273.421 7
Lo Low (pH 4.5-6) -0.23 3.33 -195.72 5 5 3 55 274.429 7

Activity (Go SEA)

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