In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 21 | No |
Popular Name: (5S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-(3-fluorophenyl)e…
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) | 4.07 | 9.86 | -32.4 | 2 | 2 | 1 | 26 | 301.41 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 9.85 | -32.25 | 2 | 2 | 1 | 26 | 301.41 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 9.13 | -6.04 | 1 | 2 | 0 | 24 | 300.402 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.