UCSF

ZINC52538584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 4.03 9.3 -40.65 1 5 -1 74 385.49 4
Mid Mid (pH 6-8) 3.11 10.9 -11.34 2 5 0 67 386.498 5
Mid Mid (pH 6-8) 3.15 10.02 -47.16 1 5 -1 68 385.49 5

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

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