In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 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) | 4.52 | 19.66 | -21.46 | 0 | 8 | 0 | 70 | 435.576 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.52 | 19.85 | -33.55 | 1 | 8 | 1 | 72 | 436.584 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.52 | 19.86 | -32.08 | 1 | 8 | 1 | 72 | 436.584 | 3 | ↓ |