In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 28 | Yes |
None
None
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) | 3.02 | 10.57 | -43.74 | 1 | 5 | 1 | 43 | 399.536 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.39 | -12.45 | 0 | 5 | 0 | 42 | 398.528 | 3 | ↓ |