In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 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) | 1.43 | 9.48 | -32.19 | 1 | 7 | 1 | 66 | 312.401 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 8.94 | -12.34 | 0 | 7 | 0 | 65 | 311.393 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.