In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | Yes |
Popular Name: (2S)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]propanamide (2S)-N-(cyclohexylmethyl)-2-[(3S…
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) | 2.27 | 5.63 | -32.09 | 2 | 5 | 1 | 46 | 326.505 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 3.41 | -7.86 | 1 | 5 | 0 | 45 | 325.497 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.