UCSF

ZINC20566097

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5R)-4-[(E)-3-(2-furyl)prop-2-enoyl]-3-hydroxy-1-(3-morpholinopropyl)-5-(2-pyridyl)-5H-pyrrol-2-one (5R)-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 -46.73 0 8 -1 99 422.461 7 ↓
Ref Reference (pH 7) 0.80 5.7 -53.19 0 8 -1 99 422.461 8 ↓
Mid Mid (pH 6-8) 0.81 8.27 -82.09 1 8 0 100 423.469 8 ↓
Mid Mid (pH 6-8) 0.81 7.77 -62.4 1 8 0 100 423.469 7 ↓
Mid Mid (pH 6-8) 0.81 5.77 -36.76 1 8 0 100 423.469 7 ↓
Mid Mid (pH 6-8) 0.80 7.02 -69.12 1 8 0 100 423.469 8 ↓
Lo Low (pH 4.5-6) 0.81 8.66 -107.27 2 8 1 101 424.477 8 ↓
Lo Low (pH 4.5-6) 0.80 7.22 -44.84 2 8 1 97 424.477 8 ↓
Lo Low (pH 4.5-6) 0.81 8.12 -82.14 2 8 1 101 424.477 7 ↓

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