UCSF

ZINC02028774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 17 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) 3.17 6.54 -50.21 1 4 -1 69 242.339 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0350315A1; EP0350315B1; US5352689; US5391564 IBM Patent Data

Activity (Go SEA)

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