UCSF

ZINC20240482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.39 10.19 -52.34 2 5 1 49 379.528 7
Mid Mid (pH 6-8) 3.39 7.93 -13.06 1 5 0 48 378.52 7
Mid Mid (pH 6-8) 3.39 10.19 -49.25 2 5 1 49 379.528 7

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

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