In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 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) | 2.16 | 7.58 | -19.99 | 2 | 7 | 0 | 91 | 454.527 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 8.65 | -39.9 | 3 | 7 | 1 | 92 | 455.535 | 7 | ↓ |