| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(4-isobutylphenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(4-isobutylphenyl)-N'-met…
| 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) | 1.13 | 6.61 | -36.85 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 6.18 | -2.72 | 2 | 3 | 0 | 38 | 290.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 8.58 | -120.53 | 4 | 3 | 2 | 41 | 292.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
