In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (1R)-N-[(1S)-1-cyclopropylethyl]-1-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (1R)-N-[(1S)-1-cyclopropylethyl]…
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) | 2.74 | 7.28 | -115.46 | 4 | 3 | 2 | 41 | 292.467 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 7.35 | -26.92 | 3 | 3 | 1 | 40 | 291.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.74 | 6.39 | -48.95 | 3 | 3 | 1 | 40 | 291.459 | 8 | ↓ |