In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2007 | 33 | 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) | 3.84 | 0.75 | -16.93 | 1 | 7 | 0 | 73 | 437.503 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 0.93 | -40.15 | 2 | 7 | 1 | 74 | 438.511 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.