In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 13 | Yes |
Popular Name: (3S)-N3-methyl-N3-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,3-diamine (3S)-N3-methyl-N3-[[(2S)-tetrahy…
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) | 0.12 | 1.04 | -39.45 | 3 | 3 | 1 | 40 | 187.307 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 2.58 | -29.77 | 3 | 3 | 1 | 40 | 187.307 | 5 | ↓ |