In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 17 | Yes |
Popular Name: (3S)-3-(2-dimethylaminoethylamino)-5-methyl-indolin-2-one (3S)-3-(2-dimethylaminoethylamin…
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 | 3.52 | -35.76 | 3 | 4 | 1 | 46 | 234.323 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 2.31 | -39.61 | 3 | 4 | 1 | 49 | 234.323 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 4.84 | -112.05 | 4 | 4 | 2 | 50 | 235.331 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 1.03 | -8.61 | 2 | 4 | 0 | 44 | 233.315 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 1.05 | -5.21 | 2 | 4 | 0 | 44 | 233.315 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 2.3 | -37.78 | 3 | 4 | 1 | 49 | 234.323 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.13 | 4.78 | -109.35 | 4 | 4 | 2 | 50 | 235.331 | 4 | ↓ |