In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2011 | 35 | 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) | 1.95 | 5.45 | -68.25 | 3 | 9 | 0 | 129 | 471.517 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 5.96 | -96.22 | 4 | 9 | 1 | 131 | 472.525 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.