In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2008 | 31 | 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) | 1.39 | 7.28 | -63.48 | 0 | 7 | -1 | 86 | 418.473 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 9.83 | -70.18 | 1 | 7 | 1 | 81 | 420.489 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 9.13 | -55.09 | 2 | 7 | 1 | 84 | 420.489 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 9.61 | -80.41 | 1 | 7 | 0 | 87 | 419.481 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 10.12 | -136.92 | 2 | 7 | 2 | 82 | 421.497 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 9.42 | -117.54 | 3 | 7 | 2 | 85 | 421.497 | 7 | ↓ |