UCSF

ZINC34949354

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 Yes

Popular Name: [5-amino-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-[4-(2-morpholinoethoxy)phenyl]me [5-amino-3-[4-(2-pyrrolidin-1-yl…

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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) 3.47 12.93 -42.97 4 11 1 121 522.63 11 ↓
Hi High (pH 8-9.5) 3.47 10.51 -10.56 3 11 0 120 521.622 11 ↓
Mid Mid (pH 6-8) 3.47 15.24 -85.19 5 11 2 122 523.638 11 ↓

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