In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 34 | No |
Popular Name: 1-[3-(2-guanidinothiazol-4-yl)phenyl]-3-[4-(2-guanidinothiazol-4-yl)phenyl]urea 1-[3-(2-guanidinothiazol-4-yl)ph…
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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) | 4.17 | 8.6 | -23.49 | 10 | 11 | 0 | 196 | 492.594 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 7.96 | -50.2 | 11 | 11 | 1 | 192 | 493.602 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 7.96 | -47.43 | 11 | 11 | 1 | 192 | 493.602 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 7.93 | -86.46 | 12 | 11 | 2 | 194 | 494.61 | 8 | ↓ |