UCSF

ZINC09302017

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 36 No

Popular Name: ethyl 4-({4-hydroxy-2-(5-methyl-2-furyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate ethyl 4-({4-hydroxy-2-(5-methyl-…

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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) 1.89 6.51 -50.36 1 10 -1 128 498.556 10 ↓
Mid Mid (pH 6-8) 2.34 9.47 -56.02 3 10 1 127 500.572 9 ↓
Mid Mid (pH 6-8) 1.31 -0.58 -51.71 2 10 1 123 500.572 10 ↓
Mid Mid (pH 6-8) 1.89 8.79 -68.51 2 10 0 129 499.564 10 ↓

Activity (Go SEA)

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