| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | Yes |
Popular Name: 2-[[(4S)-2-(3-chloroanilino)-4H-purin-6-yl]amino]ethanol 2-[[(4S)-2-(3-chloroanilino)-4H-…
| 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) | 0.92 | 1.28 | -43.5 | 2 | 7 | -1 | 96 | 303.733 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 0.3 | -103.19 | 1 | 7 | -2 | 98 | 302.725 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 2.01 | -10.52 | 3 | 7 | 0 | 94 | 304.741 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 2 | -23.42 | 3 | 7 | 0 | 97 | 304.741 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 2.23 | -35.17 | 4 | 7 | 1 | 95 | 305.749 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
