UCSF

ZINC36305458

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 Yes

Popular Name: (3S,4S)-3-[(2R)-2-ethylmorpholin-4-yl]tetrahydropyran-4-amine (3S,4S)-3-[(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) 0.02 0.42 -46.02 3 4 1 49 215.317 2 ↓
Hi High (pH 8-9.5) 0.02 0.03 -2.86 2 4 0 48 214.309 2 ↓
Lo Low (pH 4.5-6) 0.02 2.2 -120.34 4 4 2 51 216.325 2 ↓

Activity (Go SEA)

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