| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1R)-N'-(cyclobutylmethyl)-1-(4-isopropylphenyl)-N'-methyl-ethane-1,2-diamine (1R)-N'-(cyclobutylmethyl)-1-(4-…
| 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) | 2.01 | 9.04 | -36.71 | 3 | 2 | 1 | 30 | 261.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 6.97 | -1.26 | 2 | 2 | 0 | 29 | 260.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 7.4 | -39.63 | 3 | 2 | 1 | 31 | 261.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 9.36 | -129.01 | 4 | 2 | 2 | 32 | 262.441 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
