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 | 8.94 | -47.21 | 1 | 7 | 0 | 60 | 492.64 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 11.08 | -48.11 | 1 | 7 | 1 | 60 | 492.64 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 11.19 | -131.72 | 2 | 7 | 0 | 61 | 493.648 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 8.82 | -10.29 | 0 | 7 | 0 | 58 | 491.632 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.