UCSF

ZINC63761249

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 27 No

Popular Name: N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]-4-(2H-indol-3-yl)butanamide N-[(E)-[3-hydroxy-5-(hydroxymeth…

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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) 2.99 2.31 -44.08 4 7 1 109 367.429 7 ↓
Hi High (pH 8-9.5) 2.99 3.49 -59.45 4 7 1 113 367.429 7 ↓
Hi High (pH 8-9.5) 2.99 3.07 -71.26 3 7 0 112 366.421 7 ↓

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

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