In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 17 | Yes |
Popular Name: (2R,3S)-2-amino-3-methyl-1-(4-propylpiperazin-1-yl)pentan-1-one (2R,3S)-2-amino-3-methyl-1-(4-pr…
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) | 0.92 | 2.53 | -44.24 | 3 | 4 | 1 | 51 | 242.387 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 2.21 | -6.87 | 2 | 4 | 0 | 50 | 241.379 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.85 | -99.51 | 4 | 4 | 2 | 52 | 243.395 | 5 | ↓ |