In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 25 | 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) | 0.66 | 8.84 | -35.03 | 1 | 6 | 1 | 52 | 343.451 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 8.38 | -19.18 | 0 | 6 | 0 | 51 | 342.443 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.66 | 10.53 | -47.44 | 1 | 6 | 1 | 52 | 343.451 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.