UCSF

ZINC37246095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 34 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) 1.91 9.96 -18.92 1 10 0 126 491.415 12
Hi High (pH 8-9.5) 2.09 7.98 -49.71 0 10 -1 133 490.407 12

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

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