| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2011 | 24 | No |
Popular Name: (2S)-1-[allyl-[(3-nitrophenyl)methyl]amino]-3-morpholino-propan-2-ol (2S)-1-[allyl-[(3-nitrophenyl)me…
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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) | 1.55 | 4.85 | -51.4 | 2 | 7 | 1 | 83 | 336.412 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 2.68 | -10.28 | 1 | 7 | 0 | 82 | 335.404 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 4.93 | -43.7 | 2 | 7 | 1 | 83 | 336.412 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
