In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4S)-4-methyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[4-(2-pyridy…
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) | 1.99 | 8.03 | -31.2 | 1 | 4 | 1 | 38 | 288.415 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 7.66 | -9.43 | 0 | 4 | 0 | 36 | 287.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 10.03 | -95.78 | 2 | 4 | 2 | 39 | 289.423 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 9.7 | -43.14 | 1 | 4 | 1 | 38 | 288.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.