UCSF

ZINC35301153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 13 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) 0.47 7.52 -32.96 1 3 0 45 185.267 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0416282A1; EP0416282B1; US5120652; US5219741 IBM Patent Data
PUBCHEM_PATENT_ID US6143721 IBM Patent Data

Activity (Go SEA)

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