In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 29 | 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) | 7.24 | 12.16 | -5.56 | 2 | 2 | 0 | 32 | 389.583 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.24 | 12.51 | -38.81 | 3 | 2 | 1 | 37 | 390.591 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.