In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2010 | 28 | 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) | 1.59 | 5.78 | -21.47 | 3 | 8 | 0 | 108 | 384.436 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 4.12 | -64.91 | 2 | 8 | -1 | 114 | 383.428 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.