UCSF

ZINC61461060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 23 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) 2.45 8.72 -38.44 2 5 1 53 315.441 5
Hi High (pH 8-9.5) 2.45 6.67 -14.89 1 5 0 52 314.433 5
Lo Low (pH 4.5-6) 2.45 9.2 -81.24 3 5 2 55 316.449 5

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

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