In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 28 | 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) | 2.97 | 9.59 | -67.72 | 1 | 5 | 0 | 65 | 382.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 8.84 | -42.4 | 2 | 5 | 1 | 62 | 383.443 | 6 | ↓ |