In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 24 | No |
Popular Name: 3-[(4-amino-3-fluoro-phenyl)methyl]-1-[(4-tert-butylphenyl)methyl]thiourea 3-[(4-amino-3-fluoro-phenyl)meth…
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) | 4.41 | 8.9 | -15.21 | 4 | 3 | 0 | 52 | 345.487 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 8.43 | -32.88 | 4 | 3 | 1 | 52 | 346.495 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.