In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 28 | 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) | 2.86 | 9.54 | -32.99 | 1 | 6 | 1 | 42 | 375.5 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 9.14 | -16.72 | 0 | 6 | 0 | 41 | 374.492 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 11.92 | -92.03 | 2 | 6 | 2 | 44 | 376.508 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 9.95 | -66.62 | 2 | 6 | 2 | 44 | 376.508 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 11.84 | -107.41 | 2 | 6 | 2 | 44 | 376.508 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 12.48 | -156.63 | 3 | 6 | 3 | 45 | 377.516 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 12.46 | -154.77 | 3 | 6 | 3 | 45 | 377.516 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 11.86 | -80.89 | 2 | 6 | 2 | 44 | 376.508 | 4 | ↓ |