UCSF

ZINC69901554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 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) 3.77 7.95 -61.99 2 6 1 84 394.542 5
Hi High (pH 8-9.5) 3.77 5.74 -16.64 1 6 0 83 393.534 5
Hi High (pH 8-9.5) 2.85 5.4 -47.05 0 6 -1 81 392.526 6
Mid Mid (pH 6-8) 2.85 7.67 -50.17 1 6 0 83 393.534 6

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

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