In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 18 | Yes |
Popular Name: N-[(5-bromo-2-thienyl)methyl]-3-(cyclohexoxy)propan-1-amine N-[(5-bromo-2-thienyl)methyl]-3-…
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) | 4.49 | 8.57 | -45.45 | 2 | 2 | 1 | 26 | 333.315 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.49 | 7.15 | -3.62 | 1 | 2 | 0 | 21 | 332.307 | 7 | ↓ |