In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)-N,N'-dimethyl-ethane-1,2-diamine (1S)-1-(3,4-dimethylphenyl)-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) | 2.52 | 7.6 | -111.98 | 3 | 3 | 2 | 30 | 252.402 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 3.42 | -3.61 | 1 | 3 | 0 | 24 | 250.386 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.65 | -31.38 | 2 | 3 | 1 | 29 | 251.394 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 6.16 | -33.76 | 2 | 3 | 1 | 26 | 251.394 | 7 | ↓ |