In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 33 | 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) | 4.58 | -1.76 | -17.08 | 1 | 7 | 0 | 90 | 463.559 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.58 | -1.24 | -46 | 0 | 7 | -1 | 92 | 462.551 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.