In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 31 | 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) | 4.99 | 17.04 | -31.71 | 1 | 6 | 1 | 60 | 423.581 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 16.66 | -13.95 | 0 | 6 | 0 | 58 | 422.573 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.