UCSF

ZINC71502513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 2.15 9.57 -48.85 2 9 1 106 384.416 7
Mid Mid (pH 6-8) 2.15 7.46 -34.73 2 9 1 106 384.416 7
Mid Mid (pH 6-8) 2.15 6.84 -15.29 1 9 0 105 383.408 7

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

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