In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2012 | 48 | 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) | -4.95 | 1.19 | -212.39 | 16 | 18 | 1 | 338 | 680.784 | 22 | ↓ |
Hi High (pH 8-9.5) | -4.89 | 0.77 | -144.14 | 15 | 18 | 0 | 334 | 679.776 | 23 | ↓ |
Mid Mid (pH 6-8) | -4.95 | 0.91 | -144.3 | 15 | 18 | 0 | 337 | 679.776 | 22 | ↓ |
Lo Low (pH 4.5-6) | -4.89 | -0.85 | -197.8 | 17 | 18 | 2 | 333 | 681.792 | 23 | ↓ |
Lo Low (pH 4.5-6) | -4.95 | -0.8 | -198.66 | 17 | 18 | 2 | 335 | 681.792 | 22 | ↓ |
No pre-computed analogs available. Try a structural similarity search.