UCSF

ZINC37327531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.39 2.11 -45.82 3 5 1 58 300.329 5
Hi High (pH 8-9.5) 1.39 0.77 -10.39 2 5 0 54 299.321 5
Lo Low (pH 4.5-6) 1.39 3.03 -38.52 3 5 1 55 300.329 5
Lo Low (pH 4.5-6) 1.39 4.35 -120.33 4 5 2 59 301.337 5

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

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