| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 21 | Yes |
Popular Name: (1S)-N-[(2-phenyltriazol-4-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[(2-phenyltriazol-4-yl)me…
| 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) | 3.29 | 8.53 | -40.73 | 2 | 4 | 1 | 47 | 299.423 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 7.1 | -8.16 | 1 | 4 | 0 | 43 | 298.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
