In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | 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) | 2.99 | 10.98 | -30.41 | 1 | 4 | 1 | 35 | 343.76 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 10.5 | -7.89 | 0 | 4 | 0 | 34 | 342.752 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.