UCSF

ZINC52380100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 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) 1.90 4.98 -40.86 2 4 1 42 298.476 6
Hi High (pH 8-9.5) 1.90 3.61 -4.37 1 4 0 37 297.468 6
Lo Low (pH 4.5-6) 1.90 6.96 -93.71 3 4 2 43 299.484 6

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

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