UCSF

ZINC36769690

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 Yes

Popular Name: (1S,2R)-2-[(2R)-2-ethylmorpholin-4-yl]indan-1-amine (1S,2R)-2-[(2R)-2-ethylmorpholin…

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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) 0.15 4.39 -41.93 3 3 1 40 247.362 2 ↓
Hi High (pH 8-9.5) 0.15 4.05 -3.46 2 3 0 38 246.354 2 ↓
Lo Low (pH 4.5-6) 0.15 6.31 -128.13 4 3 2 41 248.37 2 ↓

Activity (Go SEA)

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