In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2006 | 27 | 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) | 1.81 | 7.67 | -46.15 | 2 | 7 | 1 | 76 | 430.337 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 5.32 | -14.17 | 1 | 7 | 0 | 75 | 429.329 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.