In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 38 | No |
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) | 7.82 | 14.07 | -13.24 | 1 | 5 | 0 | 73 | 504.582 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.82 | 14.85 | -57.47 | 0 | 5 | -1 | 76 | 503.574 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.