UCSF

ZINC34668020

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 No

Popular Name: (E)-N-[6-[4-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]piperazin-1-yl]-3-pyridyl]-3-phenyl-prop-2-enamide (E)-N-[6-[4-[(2S)-2-hydroxy-3-pr…

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Vendors

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) 2.23 6.17 -15.86 2 7 0 78 420.513 9 ↓
Mid Mid (pH 6-8) 2.23 8.39 -50.35 3 7 1 79 421.521 9 ↓
Mid Mid (pH 6-8) 2.23 6.51 -40.54 3 7 1 79 421.521 9 ↓
Lo Low (pH 4.5-6) 2.23 8.73 -107.48 4 7 2 80 422.529 9 ↓

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