In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 29 | 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) | 2.97 | 6.03 | -62.68 | 1 | 6 | -1 | 90 | 435.283 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 5.28 | -17.58 | 2 | 6 | 0 | 87 | 436.291 | 8 | ↓ |