UCSF

ZINC13123210

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 36 No

Popular Name: 4-[(Z)-hydroxy-[(2S)-1-(3-morpholinopropyl)-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]methyl]-N,N- 4-[(Z)-hydroxy-[(2S)-1-(3-morpho…

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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) 0.55 4.04 -57.3 0 10 -1 123 513.596 9 ↓
Mid Mid (pH 6-8) -0.04 6.99 -71.59 1 10 1 118 515.612 9 ↓
Mid Mid (pH 6-8) 0.55 6.38 -77.19 1 10 0 124 514.604 9 ↓
Lo Low (pH 4.5-6) -0.04 7.27 -125.8 2 10 2 120 516.62 9 ↓
Lo Low (pH 4.5-6) 0.99 6.72 -108.99 3 10 2 123 516.62 8 ↓

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