In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 39 | 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) | 1.18 | 7.53 | -72.4 | 4 | 10 | 1 | 120 | 532.669 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 7.96 | -121.73 | 5 | 10 | 2 | 121 | 533.677 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 8.29 | -173.34 | 6 | 10 | 3 | 123 | 534.685 | 5 | ↓ |