In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-methyl-N1-(m-tolylmethyl)-1-phenyl-propane-1,2-diamine (1S,2R)-N1-methyl-N1-(m-tolylmet…
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) | 2.95 | 9.5 | -119.39 | 4 | 2 | 2 | 32 | 270.42 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 6.91 | -44.57 | 3 | 2 | 1 | 31 | 269.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 9.09 | -31.12 | 3 | 2 | 1 | 30 | 269.412 | 5 | ↓ |