In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 14 | 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) | 0.36 | 2.73 | -43.14 | 2 | 3 | 1 | 33 | 192.286 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 1.37 | -3.65 | 1 | 3 | 0 | 28 | 191.278 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.36 | 3.21 | -92.56 | 3 | 3 | 2 | 34 | 193.294 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.