In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(5-bromo-2-chloro-phenyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(5…
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) | 5.58 | 10.15 | -38.92 | 2 | 1 | 1 | 17 | 367.719 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.58 | 9.93 | -3.93 | 1 | 1 | 0 | 12 | 366.711 | 3 | ↓ |