UCSF

ZINC12339624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 21 No

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) 2.95 0.41 -10.7 1 4 0 51 281.311 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0934931A2; US5792783; US5834504; US5883113; US5883116; US5886020; WO1996040116A1 IBM Patent Data

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