UCSF

ZINC37809521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.98 1.77 -9.65 3 4 0 67 236.315 6
Mid Mid (pH 6-8) -0.98 2.12 -37.67 4 4 1 68 237.323 6

Activity (Go SEA)

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