In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 36 | 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) | 4.62 | 12.73 | -78.23 | 1 | 7 | 0 | 83 | 494.632 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.06 | 11.85 | -56.95 | 2 | 7 | 1 | 81 | 495.64 | 11 | ↓ |