UCSF

ZINC40488603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 28 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) -2.25 3.6 -374.56 3 14 -4 221 495.261 8
Mid Mid (pH 6-8) -2.25 2.44 -237.47 4 14 -3 219 496.269 8
Lo Low (pH 4.5-6) -2.25 1.51 -143.17 4 14 -2 219 497.277 8

Activity (Go SEA)

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