In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 34 | 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) | 2.69 | 9.24 | -52.66 | 2 | 10 | 1 | 114 | 491.638 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 4.98 | -59.83 | 0 | 10 | -1 | 116 | 489.622 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 7.44 | -61.53 | 1 | 10 | 0 | 117 | 490.63 | 11 | ↓ |