UCSF

ZINC37232361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 2.13 5.94 -44.9 2 3 1 29 293.456 5
Hi High (pH 8-9.5) 2.13 4.73 -4.2 1 3 0 24 292.448 5
Lo Low (pH 4.5-6) 2.13 6.99 -38.19 2 3 1 26 293.456 5
Lo Low (pH 4.5-6) 2.13 8.22 -116.35 3 3 2 30 294.464 5

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

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