UCSF

ZINC35628756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 3.11 2.38 -4.24 2 4 0 45 292.423 5
Mid Mid (pH 6-8) 3.11 3.84 -39.68 3 4 1 49 293.431 5
Lo Low (pH 4.5-6) 3.11 4.67 -34.11 3 4 1 46 293.431 5
Lo Low (pH 4.5-6) 3.11 5.65 -119.22 4 4 2 51 294.439 5

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

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