In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 21 | 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) | 0.50 | 0.21 | -19.21 | 2 | 7 | 0 | 87 | 288.307 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.96 | -1.68 | -58.49 | 1 | 7 | -1 | 90 | 287.299 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.96 | -1.41 | -45.05 | 1 | 7 | -1 | 90 | 287.299 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.32 | 2.53 | -99.76 | 4 | 7 | 2 | 86 | 290.323 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 2.41 | -52.74 | 3 | 7 | 1 | 88 | 289.315 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 2.53 | -40.79 | 3 | 7 | 1 | 88 | 289.315 | 3 | ↓ |