In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 28 | 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) | 1.20 | 4.69 | -38.83 | 5 | 9 | 1 | 120 | 384.464 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 4.32 | -17.8 | 4 | 9 | 0 | 119 | 383.456 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.