In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 36 | 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) | 3.45 | 10.6 | -50.6 | 2 | 10 | 1 | 114 | 519.692 | 13 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 6.7 | -59.3 | 0 | 10 | -1 | 116 | 517.676 | 13 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 8.82 | -59.49 | 1 | 10 | 0 | 117 | 518.684 | 13 | ↓ |