In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 20 | Yes |
Popular Name: (3R)-3-(ethylamino)-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]indolin-2-one (3R)-3-(ethylamino)-6-[(5-methyl…
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) | 1.02 | 4 | -45.69 | 4 | 6 | 1 | 87 | 290.372 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 2.69 | -10.72 | 3 | 6 | 0 | 83 | 289.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.