In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-(m-tolylmethyl)butane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…
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) | 3.18 | 9.66 | -113.68 | 3 | 2 | 2 | 21 | 248.414 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 7.92 | -33.36 | 2 | 2 | 1 | 20 | 247.406 | 7 | ↓ |