UCSF

ZINC49530470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.25 5.86 -97.78 4 3 2 41 270.442 7
Hi High (pH 8-9.5) 2.25 4.97 -26.67 2 3 0 40 268.426 7
Mid Mid (pH 6-8) 2.25 4.44 -35.36 3 3 1 37 269.434 7
Mid Mid (pH 6-8) 2.25 6.4 -35.53 3 3 1 44 269.434 7
Mid Mid (pH 6-8) 2.25 3.32 -35.53 3 3 1 40 269.434 7

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

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