In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (3R,4S)-N3-(2-methoxyethyl)-N3-(3-methoxypropyl)-N4-propyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(2-methoxyethyl)-N3-(…
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) | 1.34 | 2.48 | -36.64 | 2 | 5 | 1 | 48 | 289.44 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.34 | 3.18 | -2.35 | 1 | 5 | 0 | 43 | 288.432 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 3.23 | -31.5 | 2 | 5 | 1 | 44 | 289.44 | 11 | ↓ |