In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 21 | 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) | 2.64 | 10.03 | -213.78 | 0 | 6 | -3 | 120 | 283.215 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 8.04 | -110.76 | 1 | 6 | -2 | 118 | 284.223 | 4 | ↓ |