In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 23 | Yes |
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) | 0.06 | 8.5 | -49.85 | 3 | 8 | 1 | 90 | 311.373 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 7.12 | -11.05 | 2 | 8 | 0 | 85 | 310.365 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 7.28 | -33.28 | 3 | 8 | 1 | 87 | 311.373 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 8.66 | -95.02 | 4 | 8 | 2 | 91 | 312.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.