In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (2S,3S)-N3-methyl-N3-(m-tolylmethyl)-N2-propyl-butane-2,3-diamine (2S,3S)-N3-methyl-N3-(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) | 3.49 | 9.71 | -110.82 | 3 | 2 | 2 | 21 | 250.43 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 8.66 | -31.76 | 2 | 2 | 1 | 16 | 249.422 | 7 | ↓ |