UCSF

ZINC66248669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 22 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) 2.57 2.17 -15.95 1 6 0 75 339.442 4
Hi High (pH 8-9.5) 1.65 1.63 -47.56 0 6 -1 74 338.434 5
Lo Low (pH 4.5-6) 2.57 4.52 -59.64 2 6 1 76 340.45 4

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

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