In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 32 | Yes |
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) | 4.80 | 10.9 | -17.34 | 1 | 6 | 0 | 63 | 445.592 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 13.63 | -56.99 | 2 | 6 | 1 | 64 | 446.6 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 11.37 | -32.29 | 2 | 6 | 1 | 64 | 446.6 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.80 | 14.1 | -78.19 | 3 | 6 | 2 | 65 | 447.608 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.