In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(cyclopropylmethyl)-1-(2-ethoxyphenyl)-N-ethyl-N'-methyl-ethane-1,2-diamine (1S)-N'-(cyclopropylmethyl)-1-(2…
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) | 3.34 | 9.88 | -112.13 | 3 | 3 | 2 | 30 | 278.44 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 8.92 | -30.11 | 2 | 3 | 1 | 26 | 277.432 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 7.95 | -30.94 | 2 | 3 | 1 | 29 | 277.432 | 9 | ↓ |