In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | 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) | 1.64 | 10.63 | -107.5 | 3 | 5 | 2 | 51 | 289.427 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 8.38 | -51.72 | 2 | 5 | 1 | 50 | 288.419 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 9.33 | -41.25 | 2 | 5 | 1 | 47 | 288.419 | 4 | ↓ |