In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 16 | No |
Popular Name: 2-methyl-N-[[5-[(3S)-tetrahydrothiophen-3-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[5-[(3S)-tetrahydrot…
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) | 0.37 | 1.49 | -41.68 | 2 | 4 | 1 | 56 | 242.368 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.37 | 0.24 | -8.56 | 1 | 4 | 0 | 51 | 241.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.