UCSF

ZINC12504457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 17 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) -2.83 -4.8 -207.68 3 10 -3 182 271.094 4
Mid Mid (pH 6-8) -2.83 -5.96 -100.75 4 10 -2 180 272.102 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.64e+01 g/l DrugBank-experimental

Activity (Go SEA)

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