UCSF

ZINC53884616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 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) 0.99 4.61 -36.36 2 3 1 34 228.356 4
Hi High (pH 8-9.5) 0.99 2.48 -3.58 1 3 0 33 227.348 4

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

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