UCSF

ZINC00216095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 18 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) 3.39 8.67 -50.75 0 3 -1 53 278.74 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3976781; US4085217; US4204064; US4394520 IBM Patent Data

Activity (Go SEA)

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