In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 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) | -0.30 | 5.67 | -49.47 | 2 | 8 | 1 | 85 | 369.449 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.30 | 3.29 | -15.66 | 1 | 8 | 0 | 83 | 368.441 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.30 | 6.06 | -84.6 | 3 | 8 | 2 | 86 | 370.457 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.