UCSF

ZINC20566095

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 No

Popular Name: (5S)-4-[(E)-3-(2-furyl)prop-2-enoyl]-3-hydroxy-1-(3-morpholinopropyl)-5-(2-pyridyl)-5H-pyrrol-2-one (5S)-4-[(E)-3-(2-furyl)prop-2-en…

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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) 0.80 5.94 -46.86 0 8 -1 99 422.461 7 ↓
Ref Reference (pH 7) 0.80 5.84 -68.7 0 8 -1 99 422.461 8 ↓
Mid Mid (pH 6-8) 0.81 8.22 -81.64 1 8 0 100 423.469 8 ↓
Mid Mid (pH 6-8) 0.81 8.36 -59.22 1 8 0 100 423.469 7 ↓
Mid Mid (pH 6-8) 0.81 6.85 -39.12 1 8 0 100 423.469 7 ↓
Mid Mid (pH 6-8) 0.80 6.29 -63.27 1 8 0 100 423.469 8 ↓
Lo Low (pH 4.5-6) 0.81 8.59 -105.3 2 8 1 101 424.477 8 ↓
Lo Low (pH 4.5-6) 0.80 7.22 -50.03 2 8 1 97 424.477 8 ↓
Lo Low (pH 4.5-6) 0.81 9.18 -75.88 2 8 1 101 424.477 7 ↓

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