UCSF

ZINC21949835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 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) 1.23 4.32 -102.52 4 2 2 32 160.305 7
Mid Mid (pH 6-8) 1.23 2.03 -42.1 3 2 1 31 159.297 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0090258A2; EP0870765A1; US4511393; US5981557 IBM Patent Data

Activity (Go SEA)

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