UCSF

ZINC60018445

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: 5-[(1S)-2-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1-hydroxy-ethyl]-2-hydroxy-b 5-[(1S)-2-[[(3S)-6-chloro-2,3-di…

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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) 1.64 -0.2 -14.81 5 7 0 114 378.812 6 ↓
Hi High (pH 8-9.5) 1.64 0.81 -56.39 4 7 -1 117 377.804 6 ↓
Mid Mid (pH 6-8) 1.64 1.14 -65.14 6 7 1 119 379.82 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.