In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 13 | No |
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) | 0.84 | 2.14 | -10.13 | 2 | 4 | 0 | 65 | 192.247 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 2.55 | -31.33 | 3 | 4 | 1 | 66 | 193.255 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.