In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: 3-[(1R)-1-[[(1R)-tetralin-1-yl]amino]ethyl]benzonitrile 3-[(1R)-1-[[(1R)-tetralin-1-yl]a…
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) | 3.25 | 10.88 | -48.18 | 2 | 2 | 1 | 40 | 277.391 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 9.9 | -5.79 | 1 | 2 | 0 | 36 | 276.383 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.