In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | Yes |
Popular Name: (3S)-5-chloro-3-(2-dimethylaminoethylamino)indolin-2-one (3S)-5-chloro-3-(2-dimethylamino…
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) | 1.36 | 3.37 | -37.3 | 3 | 4 | 1 | 46 | 254.741 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 2.14 | -41.53 | 3 | 4 | 1 | 49 | 254.741 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 0.86 | -6.45 | 2 | 4 | 0 | 44 | 253.733 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 4.68 | -114.09 | 4 | 4 | 2 | 50 | 255.749 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 0.9 | -6.64 | 2 | 4 | 0 | 44 | 253.733 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 2.14 | -40.21 | 3 | 4 | 1 | 49 | 254.741 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 4.62 | -111.47 | 4 | 4 | 2 | 50 | 255.749 | 4 | ↓ |