| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 20 | No |
Popular Name: (3Z)-5,7-dichloro-3-(4-methylpiperazin-1-yl)imino-indol-2-ol (3Z)-5,7-dichloro-3-(4-methylpip…
| 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) | 2.70 | 6.03 | -37.34 | 2 | 5 | 1 | 53 | 314.196 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 3.69 | -5 | 1 | 5 | 0 | 52 | 313.188 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 1.82 | -40.9 | 0 | 5 | -1 | 55 | 312.18 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 4.18 | -49.7 | 1 | 5 | 0 | 56 | 313.188 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 1.03 | -5.32 | 1 | 5 | 0 | 52 | 313.188 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
