In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 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) | 2.29 | 7.92 | -60 | 3 | 7 | 1 | 91 | 444.559 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.17 | -12.89 | 2 | 7 | 0 | 86 | 443.551 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.