UCSF

ZINC36519713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 15 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) -3.48 -0.94 -75.63 6 6 0 123 217.269 6
Mid Mid (pH 6-8) -3.48 -0.96 -63.73 6 6 0 123 217.269 6
Mid Mid (pH 6-8) -3.48 -0.62 -136.22 7 6 1 125 218.277 6

Activity (Go SEA)

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