In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(4-chloro-2-fluoro-phenyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-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) | 4.94 | 9.81 | -47.92 | 2 | 1 | 1 | 17 | 306.813 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 8.8 | -4 | 1 | 1 | 0 | 12 | 305.805 | 3 | ↓ |