UCSF

ZINC71380285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2011 18 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) 1.62 7.74 -122.43 3 5 1 74 255.338 9
Mid Mid (pH 6-8) 1.62 5.64 -69.5 2 5 0 73 254.33 9
Mid Mid (pH 6-8) 1.62 6.38 -67.9 2 5 0 70 254.33 9

Activity (Go SEA)

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