UCSF

ZINC39367458

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 9 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) 1.62 4.38 -4.05 0 1 0 13 119.167 1
Lo Low (pH 4.5-6) 1.62 4.85 -29.53 1 1 1 14 120.175 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4211867; US5780506; US5922732; US5968947; US6066756; WO2000066584A1 IBM Patent Data

Activity (Go SEA)

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