In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 29 | No |
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) | 1.50 | 4.45 | -118.86 | 2 | 9 | -1 | 117 | 402.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 4.72 | -143.67 | 1 | 9 | -2 | 116 | 401.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 6.18 | -167.64 | 3 | 9 | 0 | 122 | 403.414 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.47 | 7.82 | -80.74 | 2 | 9 | 0 | 115 | 403.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.