In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 21 | Yes |
Popular Name: N-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]-1-(p-tolyl)methanamine N-[(5-bromo-2-prop-2-ynoxy-pheny…
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) | 4.30 | 1 | -39.89 | 2 | 2 | 1 | 25 | 345.26 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 12.26 | -6.96 | 0 | 2 | 0 | 8 | 352.428 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 13.86 | -43.2 | 1 | 2 | 1 | 9 | 353.436 | 3 | ↓ |