UCSF

ZINC34626370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 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) -0.37 0.32 -48.83 1 6 -1 86 179.159 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4956462; US4958019; US4987129 IBM Patent Data

Activity (Go SEA)

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