In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 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) | 5.60 | 13.16 | -60.99 | 0 | 5 | -1 | 73 | 457.506 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.04 | 13.03 | -24.45 | 1 | 5 | 0 | 71 | 458.514 | 3 | ↓ |