In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-1-[[(4S)-thiochroman-4-yl]amino]ethyl]phenol 4-[(1S)-1-[[(4S)-thiochroman-4-y…
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) | 2.77 | 7.42 | -45.49 | 3 | 2 | 1 | 37 | 286.42 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 6.77 | -5.23 | 2 | 2 | 0 | 32 | 285.412 | 3 | ↓ |