In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 17 | Yes |
Popular Name: (1S)-N-cyclopentyl-N-ethyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-ethyl-1-(2-…
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) | 1.33 | 6.37 | -25.07 | 3 | 3 | 1 | 43 | 234.367 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 4.49 | -2.72 | 2 | 3 | 0 | 42 | 233.359 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 6.05 | -114.18 | 4 | 3 | 2 | 45 | 235.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 4.86 | -46.3 | 3 | 3 | 1 | 44 | 234.367 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 4.12 | -99.13 | 4 | 3 | 2 | 45 | 235.375 | 5 | ↓ |