UCSF

ZINC34567925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.90 5.34 -13.07 0 1 0 17 182.288 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0355583A2; EP0355583B1; EP0670831A1; US5053514; US5198448; US5266577; US5385914; WO1995009159A1 IBM Patent Data

Activity (Go SEA)

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