UCSF

ZINC39293282

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 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) 1.80 5.16 -17.19 1 2 0 33 163.22 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5130318; US5198439; US5245035; US5281613; US5294716; US5420292 IBM Patent Data

Activity (Go SEA)

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