In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(6-chloro-2,3-dihydro-1,4…
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) | 2.56 | 6.38 | -40.01 | 2 | 4 | 1 | 48 | 294.758 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 4.91 | -5.97 | 1 | 4 | 0 | 44 | 293.75 | 3 | ↓ |