UCSF

ZINC36325841

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 Yes

Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(3R)-3-ethylmorpholin-4-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…

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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) 2.14 2.44 -51.26 3 3 1 40 275.825 4 ↓
Hi High (pH 8-9.5) 2.14 2.1 -2.86 2 3 0 38 274.817 4 ↓

Activity (Go SEA)

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