UCSF

ZINC16779288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 32 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(4-pyridyl)-1-(4-pyridylmethyl)-5H-pyrr (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 0.71 7.07 -59.06 0 8 -1 105 428.424 5 ↓
Mid Mid (pH 6-8) 1.15 5.16 -29.03 1 8 0 102 429.432 4 ↓
Mid Mid (pH 6-8) 0.12 6.13 -28.74 0 8 0 99 429.432 5 ↓
Lo Low (pH 4.5-6) 1.15 5.45 -70.47 2 8 1 103 430.44 4 ↓
Lo Low (pH 4.5-6) 0.12 6.42 -67.09 1 8 1 100 430.44 5 ↓
Lo Low (pH 4.5-6) 1.15 5.45 -53.86 2 8 1 103 430.44 4 ↓
Lo Low (pH 4.5-6) 0.12 6.42 -55.87 1 8 1 100 430.44 5 ↓
Lo Low (pH 4.5-6) 1.15 5.74 -127.52 3 8 2 104 431.448 4 ↓
Lo Low (pH 4.5-6) 0.12 6.71 -126.43 2 8 2 101 431.448 5 ↓

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