In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2006 | 30 | 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) | 3.19 | 8.63 | -67.74 | 0 | 6 | -1 | 79 | 406.458 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.86 | -17.22 | 1 | 6 | 0 | 76 | 407.466 | 7 | ↓ |