| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | No |
Popular Name: N1,N1-diethyl-N4-[(4R)-4-isobutyl-4,5-dihydrothiazol-2-yl]benzene-1,4-diamine N1,N1-diethyl-N4-[(4R)-4-isobuty…
| 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) | 4.59 | 10.13 | -25.58 | 2 | 3 | 1 | 29 | 306.499 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.32 | -4.6 | 1 | 3 | 0 | 28 | 305.491 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 10.22 | -25.59 | 3 | 3 | 0 | 30 | 307.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 9.83 | -24.51 | 2 | 3 | 0 | 29 | 306.499 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
