UCSF

ZINC20124353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

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) 2.73 4.39 -57.98 3 4 1 55 258.297 4
Hi High (pH 8-9.5) 2.73 2.97 -9.4 2 4 0 51 257.289 4
Hi High (pH 8-9.5) 2.73 4.91 -41.86 2 4 0 58 257.289 4

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

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