In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 27 | 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) | -0.11 | 0.7 | -23.96 | 1 | 9 | 0 | 105 | 401.485 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 3.04 | -77.28 | 2 | 9 | 1 | 106 | 402.493 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.