In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 34 | 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) | 3.81 | 12.71 | -47.04 | 3 | 7 | 1 | 98 | 462.501 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 12.22 | -21 | 2 | 7 | 0 | 97 | 461.493 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.