UCSF

ZINC01730980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 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) 0.28 5.53 -8.58 0 3 0 36 186.147 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4029609; US4092316; US4148983; US4168357; US4168374; US5272035; US6110341; WO2000023529A1 IBM Patent Data

Activity (Go SEA)

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