UCSF

ZINC20615139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) 5.25 7.34 -18.11 2 7 0 100 487.313 4
Hi High (pH 8-9.5) 6.16 6.07 -50.14 1 7 -1 107 486.305 4
Hi High (pH 8-9.5) 5.70 5.42 -52.03 1 7 -1 103 486.305 4

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

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