In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (2S,3R)-N3-[(1S)-1-cyclopropylethyl]-N3-(2-methoxyethyl)-N2-propyl-butane-2,3-diamine (2S,3R)-N3-[(1S)-1-cyclopropylet…
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) | 2.85 | 6.05 | -35.97 | 2 | 3 | 1 | 29 | 257.442 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.01 | -0.6 | 1 | 3 | 0 | 24 | 256.434 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 6.51 | -27.42 | 2 | 3 | 1 | 26 | 257.442 | 10 | ↓ |