In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-N'-methyl-1-phenyl-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1S)-N-ethyl-N'-methyl-1-phenyl-…
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) | 2.96 | 7.35 | -31.81 | 2 | 3 | 1 | 29 | 277.432 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.74 | -2.84 | 1 | 3 | 0 | 24 | 276.424 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.97 | 8.24 | -32.55 | 2 | 3 | 1 | 26 | 277.432 | 7 | ↓ |