In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 23rd, 2011 | 9 | 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) | -1.36 | -3.47 | -42.8 | 5 | 5 | 1 | 95 | 127.127 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.36 | -3.94 | -15.28 | 4 | 5 | 0 | 94 | 126.119 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.