UCSF

ZINC58159524

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 20 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) 2.86 8.38 -39.21 2 5 1 62 298.794 6
Hi High (pH 8-9.5) 2.86 6.13 -8.17 1 5 0 61 297.786 6
Mid Mid (pH 6-8) 2.86 9.65 -138.44 3 5 2 67 299.802 6
Mid Mid (pH 6-8) 2.86 7.87 -55.72 2 5 1 66 298.794 6

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

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