UCSF

ZINC27529521

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 32 Yes

Popular Name: (2S)-1-[4-[(2S)-2-hydroxy-3-(3-pyridylmethylamino)propoxy]phenoxy]-3-(3-pyridylmethylamino)propan-2- (2S)-1-[4-[(2S)-2-hydroxy-3-(3-p…

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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) 0.66 3.4 -112.08 6 8 2 118 440.544 14 ↓
Hi High (pH 8-9.5) 0.66 1.97 -61.37 5 8 1 113 439.536 14 ↓
Lo Low (pH 4.5-6) 0.66 3.85 -178.76 7 8 3 119 441.552 14 ↓

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