UCSF

ZINC48945679

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 1.30 4.3 -95.49 5 5 2 78 286.379 2
Hi High (pH 8-9.5) 1.30 5.46 -5.32 3 5 0 75 284.363 2
Mid Mid (pH 6-8) 1.30 3.87 -34.67 4 5 1 77 285.371 2
Mid Mid (pH 6-8) 1.30 5.9 -32.48 4 5 1 76 285.371 2

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

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