| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 21 | Yes |
Popular Name: (3S)-3-[[(2R)-2-dimethylamino-4-methyl-pentyl]amino]-5-methyl-indolin-2-one (3S)-3-[[(2R)-2-dimethylamino-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) | 2.77 | 5.99 | -33.15 | 3 | 4 | 1 | 46 | 290.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 3.94 | -5.75 | 2 | 4 | 0 | 44 | 289.423 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 5.34 | -35.8 | 3 | 4 | 1 | 49 | 290.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.44 | -123.4 | 4 | 4 | 2 | 50 | 291.439 | 6 | ↓ |
