In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2009 | 32 | No |
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) | 4.26 | 8.45 | -43.85 | 1 | 7 | -1 | 103 | 514.377 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 9.21 | -104.38 | 0 | 7 | -2 | 106 | 513.369 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 7.63 | -14.66 | 2 | 7 | 0 | 100 | 515.385 | 5 | ↓ |