In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 26 | 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) | 1.68 | 2.44 | -20.3 | 4 | 8 | 0 | 115 | 393.494 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 0.74 | -54.66 | 3 | 8 | -1 | 122 | 392.486 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.