| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 21 | No |
Popular Name: (3Z)-3-(4-methylpiperazin-1-yl)imino-5-nitro-indolin-2-one (3Z)-3-(4-methylpiperazin-1-yl)i…
| 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) | 1.37 | 5.74 | -42.49 | 2 | 8 | 1 | 99 | 290.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 3.88 | -47.68 | 1 | 8 | 0 | 102 | 289.295 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 1.52 | -37.84 | 0 | 8 | -1 | 101 | 288.287 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 0.74 | -8.08 | 1 | 8 | 0 | 98 | 289.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
