UCSF

ZINC05485865

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 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) 1.84 -1.57 -5.94 1 3 0 41 177.232 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0240015A2; EP0240015B1; EP0332133A1; EP0332133B1; US5008274; US5147445; US5434164 IBM Patent Data

Activity (Go SEA)

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