In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 31 | 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) | 3.79 | 13.36 | -39.15 | 2 | 5 | 1 | 51 | 410.545 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 12.85 | -10.73 | 1 | 5 | 0 | 50 | 409.537 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 15.07 | -51.4 | 2 | 5 | 1 | 51 | 410.545 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 15.41 | -115.5 | 3 | 5 | 2 | 52 | 411.553 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.