In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 14 | Yes |
Popular Name: (2R)-N2-ethyl-N2-[(1S)-2-methoxy-1-methyl-ethyl]-N1-methyl-butane-1,2-diamine (2R)-N2-ethyl-N2-[(1S)-2-methoxy…
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) | 1.68 | 3.01 | -31.19 | 2 | 3 | 1 | 29 | 203.35 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 1.21 | -1.68 | 1 | 3 | 0 | 24 | 202.342 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 3.93 | -24.93 | 2 | 3 | 1 | 26 | 203.35 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 4.72 | -99.1 | 3 | 3 | 2 | 30 | 204.358 | 8 | ↓ |