UCSF

ZINC34571813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 0.45 -3.02 -11.19 3 5 0 87 259.327 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0638068A1; EP0638068B1; EP0911322A2; US5177217; US5250704 IBM Patent Data

Activity (Go SEA)

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