In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2009 | 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) | 3.32 | 10.79 | -66.15 | 1 | 7 | 0 | 87 | 438.524 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 8.56 | -59.34 | 0 | 7 | -1 | 86 | 437.516 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 9.97 | -44.3 | 2 | 7 | 1 | 84 | 439.532 | 11 | ↓ |