In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
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) | 3.06 | 7.55 | -100.37 | 3 | 3 | 2 | 36 | 237.391 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 6.94 | -50.62 | 2 | 3 | 1 | 34 | 236.383 | 4 | ↓ |