| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 17 | No |
Popular Name: 1-[[(1R,3S)-3-hydroxy-1-methyl-6-oxo-2,3-dihydro-1H-inden-5-ylidene]amino]guanidine 1-[[(1R,3S)-3-hydroxy-1-methyl-6…
| 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) | -0.22 | 2.43 | -48.24 | 4 | 6 | -1 | 114 | 233.251 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 2.2 | -49.61 | 4 | 6 | -1 | 114 | 233.251 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 2.27 | -52.34 | 5 | 6 | 0 | 116 | 234.259 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 2.41 | -55.09 | 5 | 6 | 0 | 116 | 234.259 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 1.84 | -9.26 | 5 | 6 | 0 | 112 | 234.259 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 2.36 | -51.12 | 4 | 6 | -1 | 114 | 233.251 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 1.69 | -17.55 | 5 | 6 | 0 | 112 | 234.259 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 1.76 | -15.18 | 5 | 6 | 0 | 112 | 234.259 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 1.91 | -8.69 | 5 | 6 | 0 | 112 | 234.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
