In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 37 | 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) | 3.13 | 7.84 | -60.27 | 0 | 9 | -1 | 116 | 527.619 | 13 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 8.4 | -19.08 | 1 | 9 | 0 | 113 | 528.627 | 12 | ↓ |