In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 39 | 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) | 2.88 | 8.81 | -14.7 | 1 | 10 | 0 | 111 | 532.576 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 10.56 | -43.72 | 2 | 10 | 1 | 113 | 533.584 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.