In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 27 | 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) | 1.63 | 10.67 | -49.76 | 1 | 7 | 1 | 68 | 383.501 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 8.38 | -14.95 | 0 | 7 | 0 | 67 | 382.493 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.