In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 19 | Yes |
Popular Name: 2-bromo-6-[[[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]methyl]phenol 2-bromo-6-[[[(4S)-4,5,6,7-tetrah…
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) | 2.44 | 5.83 | -42.53 | 3 | 3 | 1 | 50 | 323.21 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 6.67 | -29.89 | 2 | 3 | 0 | 53 | 322.202 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.