In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenyl-ethanone (2S)-2-amino-1-[4-(cyclopropylme…
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) | -0.46 | 4.01 | -7.26 | 2 | 4 | 0 | 50 | 273.38 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 4.35 | -43.38 | 3 | 4 | 1 | 51 | 274.388 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 6.22 | -44.73 | 3 | 4 | 1 | 51 | 274.388 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 6.54 | -102.9 | 4 | 4 | 2 | 52 | 275.396 | 4 | ↓ |