UCSF

ZINC60018429

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Substance Information

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

Popular Name: 2-hydroxy-5-[(1S)-1-hydroxy-2-[[(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]ethyl]ben 2-hydroxy-5-[(1S)-1-hydroxy-2-[[…

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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) 1.59 1.34 -64.66 6 7 1 119 359.402 6 ↓
Hi High (pH 8-9.5) 1.59 0.94 -57.61 4 7 -1 117 357.386 6 ↓
Mid Mid (pH 6-8) 1.59 -0.06 -15.97 5 7 0 114 358.394 6 ↓

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

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