In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 29 | No |
Popular Name: 4-(4-chloro-3-nitro-phenyl)-1-isopropyl-4H-pyridine-3,5-dicarboxylic-acid-diethyl-ester 4-(4-chloro-3-nitro-phenyl)-1-is…
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) | 4.22 | 5.21 | -12.7 | 0 | 8 | 0 | 101 | 422.865 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.