In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 19 | Yes |
Popular Name: (2S)-3-ethyl-N',N'-dimethyl-N-[(1S)-1-(2-thienyl)propyl]pentane-1,2-diamine (2S)-3-ethyl-N',N'-dimethyl-N-[(…
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) | 4.60 | 10.36 | -31.44 | 2 | 2 | 1 | 16 | 283.505 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 8.93 | -28.25 | 2 | 2 | 1 | 20 | 283.505 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 10.75 | -103.44 | 3 | 2 | 2 | 21 | 284.513 | 9 | ↓ |