In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2011 | 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) | 4.15 | 9.8 | -45.69 | 0 | 3 | -1 | 43 | 252.721 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.15 | 9.36 | -30.38 | 1 | 3 | 0 | 45 | 253.729 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.