UCSF

ZINC16955127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 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) 1.69 6.16 -16.39 3 5 0 73 235.316 1
Lo Low (pH 4.5-6) 2.42 1.22 -23.14 3 5 1 71 236.324 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3989682 IBM Patent Data

Activity (Go SEA)

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