In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 17 | 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) | 4.17 | 7.46 | -35.45 | 2 | 2 | 1 | 20 | 241.443 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 8.15 | -31.29 | 2 | 2 | 1 | 16 | 241.443 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 9.33 | -101.16 | 3 | 2 | 2 | 21 | 242.451 | 8 | ↓ |