In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 38 | 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) | 5.14 | 12.93 | -58.01 | 0 | 7 | -1 | 88 | 514.598 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.56 | 0.07 | -26.04 | 0 | 7 | 0 | 82 | 515.606 | 12 | ↓ |