| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | No |
Popular Name: (3S)-N'-hydroxy-3-phenyl-3-(1,4-thiazepan-4-yl)propanamidine (3S)-N'-hydroxy-3-phenyl-3-(1,4-…
| 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) | 1.87 | 6.35 | -39.7 | 4 | 4 | 1 | 63 | 280.417 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 3.91 | -5.39 | 3 | 4 | 0 | 62 | 279.409 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
