In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: [4-[(2S)-3-amino-2-methyl-propyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone [4-[(2S)-3-amino-2-methyl-propyl…
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) | 1.17 | 5.32 | -50.78 | 3 | 4 | 1 | 51 | 290.431 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 7.03 | -115.53 | 4 | 4 | 2 | 52 | 291.439 | 4 | ↓ |