In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (1S,2S)-2-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[2-methyl-2-(4-methyl…
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) | 0.50 | 4.43 | -64.39 | 2 | 6 | 0 | 77 | 283.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 2.48 | -47.15 | 1 | 6 | -1 | 76 | 282.364 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 4.84 | -71.75 | 2 | 6 | 0 | 77 | 283.372 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 2.85 | -43.29 | 3 | 6 | 1 | 74 | 284.38 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 2.44 | -40.06 | 3 | 6 | 1 | 74 | 284.38 | 5 | ↓ |