UCSF

ZINC16074084

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 22 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) 0.08 2.03 -36.18 4 10 0 138 345.277 1
Lo Low (pH 4.5-6) 0.08 2.29 -65.39 5 10 1 139 346.285 1
Lo Low (pH 4.5-6) 0.08 -2.09 -64.84 5 10 1 139 346.285 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.84e+00 g/l DrugBank-experimental

Activity (Go SEA)

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