UCSF

ZINC62318933

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 25 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) 3.28 4.63 -11.88 2 6 0 84 343.427 7
Hi High (pH 8-9.5) 3.74 2.91 -47.72 1 6 -1 87 342.419 7

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

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