In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 25 | 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) | 4.09 | 10.22 | -13.8 | 1 | 5 | 0 | 62 | 334.423 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 10.67 | -24.63 | 2 | 5 | 1 | 64 | 335.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.