UCSF

ZINC37079953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.68 7.09 -109.7 4 2 2 32 240.435 4
Hi High (pH 8-9.5) 2.68 6.82 -28.44 3 2 1 30 239.427 4
Hi High (pH 8-9.5) 2.68 5.68 -42.91 3 2 1 31 239.427 4

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

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