UCSF

ZINC33986425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 17 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) -4.40 5.47 -72.37 0 4 2 56 222.251 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4193797; US5057394; US5264318; US5273855; US5541035; WO2000010972A1 IBM Patent Data

Activity (Go SEA)

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