| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(3-bromo-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-bromo-4-quinazolin-4-y…
| 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) | 2.39 | 8.18 | -54.19 | 3 | 3 | 1 | 53 | 361.288 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 7.84 | -8.6 | 2 | 3 | 0 | 52 | 360.28 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
