UCSF

ZINC36853506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -1.04 -1.07 -46.78 3 5 1 72 187.219 4
Hi High (pH 8-9.5) -1.04 -2.13 -10.94 2 5 0 67 186.211 4
Hi High (pH 8-9.5) -1.04 -2.15 -7.38 2 5 0 67 186.211 4
Mid Mid (pH 6-8) -0.86 -3.6 -40.37 2 5 0 78 186.211 4
Mid Mid (pH 6-8) -0.86 -3.55 -37.67 2 5 0 78 186.211 4

Activity (Go SEA)

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