In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2011 | 53 | 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) | -5.13 | 0.7 | -126.23 | 17 | 15 | 2 | 319 | 747.979 | 24 | ↓ |
Hi High (pH 8-9.5) | -5.13 | 0.01 | -65.2 | 15 | 15 | 0 | 315 | 745.963 | 24 | ↓ |
Mid Mid (pH 6-8) | -5.13 | 0.99 | -106.45 | 16 | 15 | 1 | 317 | 746.971 | 24 | ↓ |
Mid Mid (pH 6-8) | -5.13 | 0.35 | -75.97 | 16 | 15 | 1 | 317 | 746.971 | 24 | ↓ |
Lo Low (pH 4.5-6) | -5.13 | 2.27 | -424.6 | 20 | 15 | 5 | 327 | 751.003 | 24 | ↓ |
Lo Low (pH 4.5-6) | -5.13 | 2.78 | -294.75 | 19 | 15 | 4 | 325 | 749.995 | 24 | ↓ |
No pre-computed analogs available. Try a structural similarity search.