In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 21 | 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) | 4.03 | 9.02 | -43.52 | 2 | 2 | 1 | 26 | 296.312 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 7.61 | -7.88 | 1 | 2 | 0 | 21 | 295.304 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.