In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 29 | 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) | 2.83 | 3.28 | -14.61 | 1 | 8 | 0 | 103 | 425.495 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 3.76 | -49.3 | 2 | 8 | 1 | 104 | 426.503 | 7 | ↓ |