In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2006 | 18 | Yes |
None
None
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) | 3.01 | 2.51 | -9.93 | 2 | 4 | 0 | 58 | 240.262 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 3.29 | -50.15 | 1 | 4 | -1 | 61 | 239.254 | 1 | ↓ |