In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 18 | 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) | 1.76 | 5.86 | -43.52 | 3 | 3 | 1 | 44 | 242.346 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 6.32 | -88.88 | 4 | 3 | 2 | 45 | 243.354 | 5 | ↓ |