UCSF

ZINC63244320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 19 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) -1.46 5.02 -23.98 2 9 0 111 266.261 5
Hi High (pH 8-9.5) -1.27 3.74 -50.89 1 9 -1 118 265.253 5

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

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