UCSF

ZINC13693467

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-pyridyl)-4-(1,3,5-trimethylpyrazole-4-carbonyl)-5H-pyrrol- (5S)-3-hydroxy-1-(2-morpholinoet…

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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) -0.21 4.04 -55.22 0 9 -1 104 424.481 6 ↓
Mid Mid (pH 6-8) 0.23 5.36 -67.35 2 9 1 102 426.497 5 ↓
Mid Mid (pH 6-8) -0.80 6.36 -63.71 1 9 1 99 426.497 6 ↓
Mid Mid (pH 6-8) -0.21 6.39 -69.78 1 9 0 105 425.489 6 ↓
Lo Low (pH 4.5-6) -0.21 5.94 -108.71 3 9 2 103 427.505 6 ↓
Lo Low (pH 4.5-6) -0.80 6.64 -123.33 2 9 2 100 427.505 6 ↓

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