UCSF

ZINC18456284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2008 34 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) -3.04 4.82 -126.63 6 14 -2 225 471.43 9
Lo Low (pH 4.5-6) -3.04 2.21 -84.01 7 14 -1 223 472.438 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.00e-01 g/l DrugBank-experimental

Activity (Go SEA)

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