In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-N'-[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]ethane-1,2-diamine N,N-diethyl-N'-[(5S)-9-methyl-2,…
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) | 2.37 | 7.53 | -33.06 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 8.67 | -31.36 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |