In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: [1-ethyl-4-(4-ethyl-1-piperidyl)-4-piperidyl]methanamine [1-ethyl-4-(4-ethyl-1-piperidyl)…
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) | 1.85 | 4.37 | -27.21 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 4.49 | -33.88 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.84 | -120.87 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 6.61 | -94.03 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 7.08 | -217.53 | 5 | 3 | 3 | 37 | 256.458 | 4 | ↓ |