In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 17 | Yes |
Popular Name: (2S)-N2-methyl-N1-propyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,2-diamine (2S)-N2-methyl-N1-propyl-N2-[[(2…
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) | 2.40 | 5.29 | -31.62 | 2 | 3 | 1 | 29 | 243.415 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.26 | -1.48 | 1 | 3 | 0 | 24 | 242.407 | 8 | ↓ |