In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 19 | Yes |
Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(2,5…
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) | 4.32 | 8.51 | -31.26 | 2 | 2 | 1 | 29 | 281.489 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 7.67 | -3.71 | 1 | 2 | 0 | 25 | 280.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.