In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 19 | 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) | 3.23 | 9.33 | -41.82 | 2 | 2 | 1 | 16 | 253.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 6.76 | -4.34 | 1 | 2 | 0 | 15 | 252.361 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.