| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | Yes |
Popular Name: (3S)-3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamidine (3S)-3-phenyl-3-(1H-1,2,4-triazo…
| 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) | 1.25 | 4.74 | -42.22 | 5 | 5 | 1 | 93 | 248.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 4.51 | -49.47 | 4 | 5 | 0 | 91 | 247.327 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
