In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 36 | No |
None
None
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) | 4.22 | 9 | -50.31 | 1 | 7 | 0 | 60 | 492.64 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 11.27 | -131.03 | 2 | 7 | 0 | 61 | 493.648 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 8.9 | -10.61 | 0 | 7 | 0 | 58 | 491.632 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.22 | 14.16 | -254.88 | 3 | 7 | 0 | 62 | 494.656 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.