In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethyl-N-methyl-ethane-1,2-diamine (1S)-1-(6-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) | 1.69 | 3.53 | -51.02 | 3 | 4 | 1 | 49 | 285.795 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 5.51 | -127.84 | 4 | 4 | 2 | 51 | 286.803 | 4 | ↓ |