UCSF

ZINC61702146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) 1.38 3.87 -100.33 4 5 2 67 286.379 5
Hi High (pH 8-9.5) 1.38 1.03 -6.81 2 5 0 64 284.363 5
Mid Mid (pH 6-8) 1.38 1.43 -40.83 3 5 1 66 285.371 5
Mid Mid (pH 6-8) 1.38 3.47 -41.3 3 5 1 65 285.371 5

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

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