In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(5-bromo-2-methoxy-phenyl)-N-cyclopropyl-N-ethyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-methoxy-phenyl…
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) | 2.26 | 6.21 | -119.55 | 4 | 3 | 2 | 41 | 315.255 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 4.45 | -42.07 | 3 | 3 | 1 | 40 | 314.247 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 5.82 | -27.46 | 3 | 3 | 1 | 40 | 314.247 | 6 | ↓ |