| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-(1,4-diazepan-1-ylsulfonyl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(1,4-diazepan-1-ylsulfony…
| 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) | 0.19 | 3.2 | -98.57 | 3 | 6 | 2 | 62 | 306.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 1.11 | -47.3 | 2 | 6 | 1 | 60 | 305.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | -0.07 | -7.91 | 1 | 6 | 0 | 56 | 304.46 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
