In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 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) | 3.05 | 11.92 | -70.51 | 1 | 9 | 0 | 120 | 453.495 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 1.83 | -58.07 | 1 | 9 | 1 | 113 | 454.503 | 9 | ↓ |