UCSF

ZINC75870893

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2012 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -0.08 4.21 -11.98 1 6 0 80 240.222 2
Mid Mid (pH 6-8) 0.38 2.15 -39.74 0 6 -1 83 239.214 2

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

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