In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 28 | 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) | 2.85 | 8.67 | -18.13 | 1 | 6 | 0 | 59 | 400.445 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 8.75 | -30.99 | 2 | 6 | 1 | 61 | 401.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.