In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 37 | 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) | 3.74 | 9.51 | -59.85 | 1 | 9 | -1 | 136 | 505.478 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 8.74 | -21.15 | 2 | 9 | 0 | 133 | 506.486 | 10 | ↓ |