In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(7-chloro-3,4-dihydro-2H-…
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) | 2.92 | 6.32 | -40.72 | 2 | 4 | 1 | 48 | 294.758 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 5.37 | -6.93 | 1 | 4 | 0 | 44 | 293.75 | 3 | ↓ |