In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2006 | 41 | No |
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) | -4.45 | 4.64 | -195.19 | 8 | 17 | -3 | 286 | 571.527 | 14 | ↓ |
Lo Low (pH 4.5-6) | -4.45 | 5.07 | -195.6 | 9 | 17 | -2 | 291 | 572.535 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.