UCSF

ZINC04602278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 19 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) 0.13 -6.63 -6.73 2 7 0 86 276.285 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0225292A2; US4939261; US5021430; US5096925; US5166212 IBM Patent Data

Activity (Go SEA)

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