In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 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) | 1.59 | 8.29 | -67.01 | 2 | 8 | 0 | 107 | 439.512 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 5.97 | -51.72 | 1 | 8 | -1 | 106 | 438.504 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 6.99 | -58.43 | 3 | 8 | 1 | 104 | 440.52 | 10 | ↓ |