In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 26 | No |
Popular Name: 1-[(1-isopropyl-2-oxo-indolin-3-ylidene)amino]-3-(2-morpholinoethyl)thiourea 1-[(1-isopropyl-2-oxo-indolin-3-…
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) | 2.17 | 5.71 | -12.88 | 2 | 7 | 0 | 71 | 375.498 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 7.97 | -44.59 | 3 | 7 | 1 | 72 | 376.506 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 8.12 | -49.45 | 3 | 7 | 1 | 72 | 376.506 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.