In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 29 | Yes |
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) | 3.48 | 0.05 | -16.31 | 1 | 8 | 0 | 90 | 392.463 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 0.31 | -43.25 | 2 | 8 | 1 | 92 | 393.471 | 6 | ↓ |