In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 19 | Yes |
Popular Name: (2S)-3-methyl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]-2-(4-methylpiperazin-1-yl)butan-1-amine (2S)-3-methyl-N-[(1S)-1-(1-methy…
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) | 2.28 | 7.53 | -90.93 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.62 | -113.74 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 5.56 | -33.23 | 2 | 3 | 1 | 23 | 268.469 | 6 | ↓ |