In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2008 | 11 | 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) | 0.26 | -1.89 | -50.04 | 2 | 5 | -1 | 93 | 154.101 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.20 | 1.08 | -78.67 | 2 | 5 | -1 | 93 | 154.101 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.