UCSF

ZINC39648214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.53 1.42 -8.27 2 4 0 69 159.185 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1023291A1; US5968946; WO1999018105A1 IBM Patent Data

Activity (Go SEA)

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