In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 17 | 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) | 2.52 | 4.19 | -10.98 | 1 | 3 | 0 | 46 | 225.247 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 4.65 | -39.12 | 2 | 3 | 1 | 48 | 226.255 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.