In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 18 | Yes |
Popular Name: (5S)-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine (5S)-7-methoxy-1,2,4,5-tetrahydr…
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) | 0.55 | 3.86 | -46.77 | 3 | 3 | 1 | 46 | 244.314 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.55 | 3.68 | -6.04 | 2 | 3 | 0 | 44 | 243.306 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.