In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | No |
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) | 3.29 | 4.6 | -10.61 | 3 | 8 | 0 | 115 | 432.48 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 5.01 | -46.64 | 4 | 8 | 1 | 117 | 433.488 | 6 | ↓ |