In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (2R)-1-amino-3-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]propan-2-ol (2R)-1-amino-3-[(2R)-4-methyl-2-…
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) | -0.02 | 1.73 | -91.62 | 5 | 4 | 2 | 56 | 251.374 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.02 | -0.64 | -43.4 | 4 | 4 | 1 | 54 | 250.366 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.02 | -1.1 | -3.47 | 3 | 4 | 0 | 53 | 249.358 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 1.84 | -42.83 | 4 | 4 | 1 | 58 | 250.366 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 2.28 | -57.17 | 4 | 4 | 1 | 58 | 250.366 | 4 | ↓ |