UCSF

ZINC36455838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 12 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) 2.68 6.35 -9.09 0 2 0 26 164.204 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0531812A1; EP0765314A1; US3932393; US3951956; US3953424; US3966720; US3974152; US3984401; US3984403; US3991069; US3993646; US3998821; US4009159; US4011214; US4011216; US4012383; US4013648; US4014872; US4036847; US4065622; US4065623; US4066831; US4066832 IBM Patent Data
PUBCHEM_PATENT_ID WO1994020491A1 IBM Patent Data

Activity (Go SEA)

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