UCSF

ZINC13728242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 No

Popular Name: (5S)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-3-hydroxy-4-(7-methoxybenzo…

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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) 1.82 7.84 -63.19 0 8 -1 109 440.435 6 ↓
Mid Mid (pH 6-8) 2.27 6.78 -31.02 1 8 0 106 441.443 5 ↓
Mid Mid (pH 6-8) 1.24 7.8 -19.17 0 8 0 103 441.443 6 ↓
Lo Low (pH 4.5-6) 1.24 8.36 -111.2 2 8 2 105 443.459 6 ↓
Lo Low (pH 4.5-6) 2.27 7.34 -115.71 3 8 2 108 443.459 5 ↓
Lo Low (pH 4.5-6) 1.24 8.08 -56.18 1 8 1 104 442.451 6 ↓
Lo Low (pH 4.5-6) 2.27 7.06 -58.55 2 8 1 107 442.451 5 ↓
Lo Low (pH 4.5-6) 1.24 8.08 -55.73 1 8 1 104 442.451 6 ↓
Lo Low (pH 4.5-6) 2.27 7.06 -69.57 2 8 1 107 442.451 5 ↓
Lo Low (pH 4.5-6) 1.82 8.29 -75.31 1 8 0 110 441.443 6 ↓

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