UCSF

ZINC00000027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 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) 0.60 -1.91 -46.13 3 4 0 71 319.232 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5407672; US5523084 IBM Patent Data

Activity (Go SEA)

Rings

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