In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 39 | 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) | 3.38 | 9.94 | -19.95 | 1 | 9 | 0 | 98 | 546.628 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 11.64 | -56.31 | 2 | 9 | 1 | 99 | 547.636 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.