UCSF

ZINC33956087

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 35 Yes

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) 5.14 14.26 -12.95 2 5 0 84 478.629 12

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.00e-03 g/l DrugBank-approved

Activity (Go SEA)

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