In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2008 | 22 | 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) | 3.73 | 7.7 | -9.18 | 1 | 4 | 0 | 59 | 300.402 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 6.8 | -39.65 | 0 | 4 | -1 | 65 | 299.394 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.