In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 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) | 1.55 | 6.71 | -23.83 | 1 | 8 | 0 | 91 | 373.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 7.15 | -40.12 | 2 | 8 | 1 | 92 | 374.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.