| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2014 | 25 | Yes |
Popular Name: 3-(3-Amino-4-methylaminobenzoyl)pyridin-2-ylaminopropionicacidethylester 3-(3-Amino-4-methylaminobenzoyl)…
Find On: PubMed — Wikipedia — Google
CAS Number: 212322-56-0
| 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) | 1.81 | 5.78 | -14.41 | 4 | 7 | 0 | 106 | 342.399 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.25 | -32.09 | 5 | 7 | 1 | 108 | 343.407 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 6.13 | -85.24 | 6 | 7 | 2 | 109 | 344.415 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.