UCSF

ZINC39960103

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 35 Yes

Other Names:

MFCD00909010

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.29 10.45 -47.6 1 9 -1 104 469.525 9
Lo Low (pH 4.5-6) 5.29 10.53 -13.73 2 9 0 105 470.533 9

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

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