UCSF

ZINC36159822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 Yes

Popular Name: [cyclohexyl-[(2S)-2-hydroxy-3-phenoxy-propyl]amino]methylBLAHone [cyclohexyl-[(2S)-2-hydroxy-3-ph…

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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) 4.25 10.09 -59.07 3 6 1 80 454.616 8 ↓
Hi High (pH 8-9.5) 4.71 7.55 -55.93 2 6 0 83 453.608 8 ↓
Hi High (pH 8-9.5) 4.25 8.3 -14.33 2 6 0 78 453.608 8 ↓

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