UCSF

ZINC02579270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 3.39 8.65 -10.45 0 2 0 26 226.275 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3971797; US4057637; US4061759; US4144342; US4212976; US4217352; US4355034; US4546106 IBM Patent Data

Activity (Go SEA)

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