UCSF

ZINC36178852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.76 1.86 -8.54 1 4 0 42 170.212 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0392317A2; EP0392317B1; US5541229; US5864043; US6153754; WO1997023213A1 IBM Patent Data

Activity (Go SEA)

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