In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | 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) | 4.55 | 9.03 | -5.16 | 1 | 2 | 0 | 25 | 254.377 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 9.47 | -31.92 | 2 | 2 | 1 | 26 | 255.385 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.