In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-4-methyl-1-(4-prop-2-ynylpiperazin-1-yl)pentan-1-one (2S)-2-amino-4-methyl-1-(4-prop-…
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) | 0.23 | 2.46 | -44.27 | 3 | 4 | 1 | 51 | 238.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 2.16 | -7.17 | 2 | 4 | 0 | 50 | 237.347 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.23 | 4.72 | -100.93 | 4 | 4 | 2 | 52 | 239.363 | 4 | ↓ |