In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2008 | 33 | 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) | 6.28 | 11.23 | -10.1 | 2 | 4 | 0 | 62 | 475.683 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.28 | 11.67 | -56.22 | 3 | 4 | 1 | 64 | 476.691 | 6 | ↓ |