In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 21 | Yes |
Popular Name: N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[(3,5-dibromo-2-ethoxy-phenyl)…
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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) | 4.20 | 8.4 | -39.05 | 2 | 3 | 1 | 29 | 421.197 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 10.22 | -118.03 | 3 | 3 | 2 | 30 | 422.205 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 8.82 | -31.96 | 2 | 3 | 1 | 26 | 421.197 | 7 | ↓ |