In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 33 | No |
None
None
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) | 5.98 | 12.11 | -48.1 | 1 | 5 | 0 | 47 | 447.599 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.98 | 12.01 | -8.17 | 0 | 5 | 0 | 46 | 446.591 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.98 | 14.9 | -101.96 | 2 | 5 | 0 | 48 | 448.607 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.