In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 25 | Yes |
Popular Name: 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-ethyl 5-methyl 4-(2,3-dichloro…
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) | 4.75 | 1.58 | -12.25 | 0 | 5 | 0 | 64 | 384.259 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 1.23 | -10.96 | 0 | 5 | 0 | 64 | 384.259 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 0.33 | -10.11 | 0 | 5 | 0 | 64 | 384.259 | 6 | ↓ |