In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 18 | Yes |
Popular Name: (1S)-3-cyclohexyl-1-(2,5-dibromophenyl)propan-1-amine (1S)-3-cyclohexyl-1-(2,5-dibromo…
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) | 3.99 | 9.1 | -48.69 | 3 | 1 | 1 | 28 | 376.156 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 8.85 | -1.59 | 2 | 1 | 0 | 26 | 375.148 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.