| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 21 | No |
Popular Name: (2S)-N-(2-carbamothioylphenyl)-2-(3-oxopiperazin-1-yl)propanamide (2S)-N-(2-carbamothioylphenyl)-2…
| 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) | 0.70 | 2.92 | -45.1 | 5 | 6 | 1 | 89 | 307.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 0.74 | -22.89 | 4 | 6 | 0 | 87 | 306.391 | 4 | ↓ |
