UCSF

ZINC05978228

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 10 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) 2.26 0.55 -7.2 1 2 0 29 143.23 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.49e+00 g/l DrugBank-experimental

Activity (Go SEA)

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