UCSF

ZINC67472959

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.55 4 -105.58 4 5 2 62 307.438 3
Mid Mid (pH 6-8) 0.55 1.43 -42.18 3 5 1 61 306.43 3
Mid Mid (pH 6-8) 0.55 2.44 -51.36 3 5 1 65 306.43 3
Mid Mid (pH 6-8) 0.55 4.99 -97.52 4 5 2 66 307.438 3

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

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