UCSF

ZINC62770581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 18 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) 2.53 7.17 -29.59 2 3 1 30 249.378 4
Hi High (pH 8-9.5) 2.53 4.94 -3.12 1 3 0 28 248.37 4
Mid Mid (pH 6-8) 2.53 8.21 -101.97 3 3 2 34 250.386 4
Mid Mid (pH 6-8) 2.53 5.96 -32.63 2 3 1 33 249.378 4

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

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