In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 24 | Yes |
Popular Name: 6-(5-chloro-2-methoxy-phenyl)-N-(4-chlorophenyl)pyrimidine-2,4-diamine 6-(5-chloro-2-methoxy-phenyl)-N-…
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) | 5.16 | 10.18 | -10.06 | 3 | 5 | 0 | 73 | 361.232 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.16 | 10.43 | -30.5 | 4 | 5 | 1 | 74 | 362.24 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PLCB-1-E | 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.30 | Binding ≤ 10μM |
Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 3000 | 0.32 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PLCB_HUMAN | O15120 | 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human | 2000 | 0.33 | Binding ≤ 10μM |
Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 3000 | 0.32 | Functional ≤ 10μM |
Description | Species |
---|---|
Synthesis of PA | |
Triglyceride Biosynthesis |