In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 25 | 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) | 1.19 | 5.19 | -91.9 | 2 | 7 | 0 | 107 | 381.479 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 3.83 | -69.24 | 1 | 7 | -1 | 102 | 380.471 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 5.65 | -137.81 | 3 | 7 | 1 | 108 | 382.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.