In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-cyclopropyl-N-ethyl-acetamide 2-[[(1S)-1-cyclohexylethyl]amino…
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) | 2.81 | 7.81 | -39.66 | 2 | 3 | 1 | 37 | 253.41 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 6.65 | -6.92 | 1 | 3 | 0 | 32 | 252.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.