UCSF

ZINC67145497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 20 Yes

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) 2.68 3.91 -16.84 3 5 0 78 287.706 2
Hi High (pH 8-9.5) 2.68 4.67 -47.42 2 5 -1 81 286.698 2
Lo Low (pH 4.5-6) 2.68 4.4 -44.71 4 5 1 79 288.714 2

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

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