In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 16 | Yes |
Popular Name: 2-chloro-4-[[3-(dimethylamino)propylamino]methyl]phenol 2-chloro-4-[[3-(dimethylamino)pr…
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) | 2.18 | 3.67 | -37.41 | 3 | 3 | 1 | 37 | 243.758 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 4.43 | -63.41 | 2 | 3 | 0 | 40 | 242.75 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 3.31 | -61.36 | 2 | 3 | 0 | 43 | 242.75 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 2.54 | -46.86 | 3 | 3 | 1 | 40 | 243.758 | 6 | ↓ |