In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | Yes |
Popular Name: (2R)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-butan-1-one (2R)-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) | 0.41 | 2.76 | -42.13 | 3 | 4 | 1 | 51 | 240.371 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 2.48 | -5.71 | 2 | 4 | 0 | 50 | 239.363 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.41 | 5.06 | -100.19 | 4 | 4 | 2 | 52 | 241.379 | 4 | ↓ |