UCSF

ZINC02047662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 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) 5.00 -1.28 -3.26 1 1 0 20 265.235 11

Vendor Notes

Note Type Comments Provided By
BP 156 / 4 TCI
MP 33 TCI
ALOGPS_SOLUBILITY 6.23e-04 g/l DrugBank-experimental
Purity 97% Fluorochem

Activity (Go SEA)

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