UCSF

ZINC56870881

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 40 No

Popular Name: 50 50

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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) 2.83 9.12 -17.37 3 8 0 138 558.712 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 6.55 Bitter DB

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Rings

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