In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 20th, 2009 | 26 | 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) | 0.31 | 9.1 | -92.41 | 1 | 7 | 0 | 83 | 358.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 6.63 | -61.16 | 0 | 7 | -1 | 82 | 357.365 | 3 | ↓ |
Lo Low (pH 4.5-6) | -3.28 | 8.15 | -69.7 | 2 | 7 | 1 | 86 | 359.381 | 2 | ↓ |