UCSF

ZINC62286575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 28 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) 2.31 1.42 -42.19 2 8 -1 120 393.301 5
Lo Low (pH 4.5-6) 1.86 3.36 -13.71 3 8 0 117 394.309 5

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

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