In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 30 | 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) | 1.38 | 4.92 | -49.9 | 4 | 8 | 1 | 104 | 418.493 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 3.42 | -50.28 | 2 | 8 | -1 | 106 | 416.477 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 5.55 | -67.97 | 3 | 8 | 0 | 107 | 417.485 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 2.69 | -9.5 | 3 | 8 | 0 | 103 | 417.485 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 6.73 | -98.39 | 5 | 8 | 2 | 106 | 419.501 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 6.88 | -211.17 | 6 | 8 | 3 | 110 | 420.509 | 6 | ↓ |