In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(1R)-1-[[(4S)-6-fluorothiochroman-4-yl]amino]ethyl]phenol 4-[(1R)-1-[[(4S)-6-fluorothiochr…
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) | 2.91 | 6.86 | -46.22 | 3 | 2 | 1 | 37 | 304.41 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 6.93 | -6.71 | 2 | 2 | 0 | 32 | 303.402 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.