In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 13 | 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) | 0.23 | 4.52 | -62.66 | 1 | 4 | 0 | 48 | 186.255 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.23 | 2.18 | -43.85 | 0 | 4 | -1 | 47 | 185.247 | 3 | ↓ |