In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-N'-methyl-1-(4-propoxyphenyl)-N'-propyl-ethane-1,2-diamine (1S)-N'-methyl-1-(4-propoxypheny…
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) | 1.27 | 6.88 | -38.13 | 3 | 3 | 1 | 40 | 251.394 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 7.23 | -128.53 | 4 | 3 | 2 | 41 | 252.402 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 5.24 | -41.86 | 3 | 3 | 1 | 40 | 251.394 | 8 | ↓ |