In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 21 | Yes |
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) | 1.39 | 5.08 | -96.2 | 4 | 5 | 2 | 51 | 291.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 6.27 | -68.53 | 4 | 5 | 2 | 48 | 291.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 7.29 | -175.73 | 5 | 5 | 3 | 52 | 292.451 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 7.17 | -121.06 | 4 | 5 | 2 | 51 | 291.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 4.97 | -53.17 | 3 | 5 | 1 | 50 | 290.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.