UCSF

ZINC13493757

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 19 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) 2.96 5.6 -53.31 2 5 -1 81 269.365 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.31e-01 g/l DrugBank-experimental

Activity (Go SEA)

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