In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 32 | Yes |
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 | 12.74 | -14.11 | 1 | 9 | 0 | 100 | 435.484 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 13.03 | -35.66 | 2 | 9 | 1 | 105 | 436.492 | 9 | ↓ |