UCSF

ZINC05819662

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 14 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) 4.16 2.85 -3.93 0 1 0 17 194.318 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0012436A1; US4292447; US4311754; US4313842; US4315953; US4324704; US4360032 IBM Patent Data

Activity (Go SEA)

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