In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 30 | 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) | 2.34 | 5.75 | -373.53 | 11 | 6 | 5 | 95 | 429.762 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 2.63 | -89.49 | 8 | 6 | 2 | 81 | 426.738 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 3.43 | -160.4 | 9 | 6 | 3 | 86 | 427.746 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 4.58 | -234.69 | 10 | 6 | 4 | 90 | 428.754 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 7.09 | -553.52 | 12 | 6 | 6 | 100 | 430.77 | 11 | ↓ |