In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 27 | 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) | 0.51 | 10.85 | -129.7 | 1 | 7 | -2 | 119 | 367.357 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.51 | 8.86 | -61.85 | 2 | 7 | -1 | 116 | 368.365 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.