In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 23 | Yes |
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) | 0.50 | 2.51 | -89.05 | 3 | 7 | 0 | 116 | 373.481 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 2.26 | -145.7 | 2 | 7 | -1 | 118 | 372.473 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 0.91 | -136.07 | 1 | 7 | -2 | 113 | 371.465 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 1.16 | -64.25 | 2 | 7 | -1 | 111 | 372.473 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.