In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2011 | 33 | 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) | 4.17 | 10.63 | -36.42 | 2 | 7 | 1 | 82 | 464.567 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 10.5 | -12.69 | 1 | 7 | 0 | 81 | 463.559 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.