In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 17 | Yes |
Popular Name: (1R)-1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[(1-me…
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) | 2.27 | 7.12 | -31.94 | 2 | 3 | 1 | 31 | 250.753 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 6.66 | -6.44 | 1 | 3 | 0 | 30 | 249.745 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 7.75 | -44.56 | 2 | 3 | 1 | 34 | 250.753 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 8.22 | -114.11 | 3 | 3 | 2 | 36 | 251.761 | 4 | ↓ |