UCSF

ZINC67490955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 No

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) 2.12 8.59 -40.4 3 5 1 63 344.479 5
Hi High (pH 8-9.5) 2.12 6.03 -5.5 2 5 0 61 343.471 5
Hi High (pH 8-9.5) 2.31 7.73 -58.58 2 5 0 69 343.471 5

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

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