In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 32 | 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) | 2.07 | 6.53 | -18.66 | 0 | 7 | 0 | 75 | 431.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 8.81 | -66.07 | 1 | 7 | 1 | 77 | 432.479 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 6.92 | -55.91 | 1 | 7 | 1 | 77 | 432.479 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 9.2 | -152.33 | 2 | 7 | 2 | 78 | 433.487 | 4 | ↓ |