UCSF

ZINC82192237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2012 14 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) 1.83 -0.36 -12.24 2 5 0 76 203.238 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0394989A2; EP0394989B1; US4742047; US4789731; US5164372; US5420297; US5633232; WO1992022569A1; WO1994020126A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.