UCSF

ZINC01646690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 2.11 7.48 -33.87 1 1 1 4 162.256 1
Mid Mid (pH 6-8) 2.11 5.2 -2.59 0 1 0 3 161.248 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4097487; US4197243 IBM Patent Data

Activity (Go SEA)

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