| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 23 | Yes |
Popular Name: 4-methyl-1,1-dioxo-5-(p-tolyl)-N-(2-pyrrolidin-1-ylethyl)isothiazol-3-amine 4-methyl-1,1-dioxo-5-(p-tolyl)-N…
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| 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) | 2.53 | 5.44 | -44.24 | 1 | 5 | 0 | 65 | 333.457 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 4.12 | -17.95 | 1 | 5 | 0 | 62 | 333.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 6.29 | -62.95 | 2 | 5 | 1 | 63 | 334.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
