In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 24 | 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) | 0.49 | 3.64 | -93.14 | 3 | 8 | 0 | 129 | 368.44 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 2.3 | -66.74 | 2 | 8 | -1 | 124 | 367.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.