In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 29 | 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) | 2.27 | -1.15 | -17.59 | 2 | 7 | 0 | 100 | 411.435 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.69 | -1.16 | -25.32 | 1 | 7 | 0 | 97 | 411.435 | 6 | ↓ |