UCSF

ZINC51171367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 21 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) 2.02 2.73 -65.75 5 5 1 86 322.797 2
Hi High (pH 8-9.5) 2.61 1.38 -46.47 4 5 -1 98 320.781 2
Mid Mid (pH 6-8) 2.02 2.4 -11.48 4 5 0 84 321.789 2

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

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