In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 39 | 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) | 3.30 | 6.05 | -51.52 | 6 | 9 | 1 | 133 | 537.681 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 4.99 | -12.1 | 5 | 9 | 0 | 129 | 536.673 | 5 | ↓ |