UCSF

ZINC05762167

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 21 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) 6.73 1.97 -2.7 1 1 0 20 286.459 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3954889; US4370505 IBM Patent Data

Activity (Go SEA)

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