In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (3S)-N-[(5-bromo-2-furyl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-[(5-bromo-2-furyl)methyl]…
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) | 2.42 | 6.27 | -7.77 | 1 | 4 | 0 | 45 | 349.228 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.56 | -41.57 | 2 | 4 | 1 | 50 | 350.236 | 3 | ↓ |