In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-N'-cyclopropyl-N-ethyl-N'-isobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N-ethyl-N'-i…
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) | 3.58 | 10.18 | -107.03 | 3 | 3 | 2 | 30 | 292.467 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 8.85 | -31.69 | 2 | 3 | 1 | 29 | 291.459 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 9.22 | -27.11 | 2 | 3 | 1 | 26 | 291.459 | 9 | ↓ |