In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 30 | 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) | 4.48 | 0.64 | -9.82 | 3 | 6 | 0 | 94 | 435.427 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.48 | 0.69 | -33.34 | 4 | 6 | 1 | 95 | 436.435 | 6 | ↓ |