| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2013 | 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) | -4.44 | -0.44 | -348.25 | 6 | 23 | -4 | 358 | 763.509 | 18 | ↓ |
| Hi High (pH 8-9.5) | -4.44 | 0.1 | -421.57 | 6 | 23 | -5 | 358 | 762.501 | 18 | ↓ |
| Hi High (pH 8-9.5) | -4.17 | -6.73 | -412.36 | 6 | 23 | -5 | 365 | 762.501 | 18 | ↓ |
| Mid Mid (pH 6-8) | -4.44 | -1.59 | -225.89 | 7 | 23 | -3 | 355 | 764.517 | 18 | ↓ |
| Mid Mid (pH 6-8) | -4.17 | -8.41 | -210.21 | 7 | 23 | -3 | 362 | 764.517 | 18 | ↓ |
No pre-computed analogs available. Try a structural similarity search.