UCSF

ZINC40375432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 29 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) -0.98 4.5 -353.96 1 14 -4 210 449.253 9
Mid Mid (pH 6-8) -0.98 3.35 -219.61 2 14 -3 207 450.261 9
Mid Mid (pH 6-8) -0.98 3.34 -224.13 2 14 -3 207 450.261 9
Lo Low (pH 4.5-6) -0.98 2.2 -109.21 3 14 -2 204 451.269 9

Activity (Go SEA)

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