In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 14 | Yes |
Popular Name: (1S)-1-cyclopropyl-N-isobutyl-N-isopropyl-ethane-1,2-diamine (1S)-1-cyclopropyl-N-isobutyl-N-…
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) | 1.80 | 4.23 | -42.13 | 3 | 2 | 1 | 31 | 199.362 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 5.46 | -113.06 | 4 | 2 | 2 | 32 | 200.37 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 5.69 | -25.04 | 3 | 2 | 1 | 30 | 199.362 | 6 | ↓ |