In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 34 | 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) | 1.67 | 7.53 | -50.27 | 1 | 10 | -1 | 133 | 476.494 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 8.32 | -116.52 | 0 | 10 | -2 | 136 | 475.486 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 6.4 | -25.49 | 2 | 10 | 0 | 130 | 477.502 | 5 | ↓ |