In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 32 | 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) | 4.16 | 11.3 | -55.23 | 0 | 8 | -1 | 115 | 435.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 10.55 | -16.67 | 1 | 8 | 0 | 113 | 436.464 | 7 | ↓ |