UCSF

ZINC67079395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 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) 3.25 6.28 -20.56 3 8 0 101 383.518 10
Mid Mid (pH 6-8) 3.97 6.23 -51.27 2 8 -1 98 382.51 10

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

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