UCSF

ZINC01095797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 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) 3.05 6.08 -6.4 0 1 0 13 157.216 0
Lo Low (pH 4.5-6) 3.05 6.36 -28.25 1 1 1 14 158.224 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0477631A1; EP0477631B1; EP0669315A1; EP0669315B1 IBM Patent Data

Activity (Go SEA)

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