UCSF

ZINC13732063

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

Popular Name: (5R)-5-(2,5-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-5 (5R)-5-(2,5-dimethoxyphenyl)-3-h…

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Physical Representations

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) 2.45 7.39 -60.44 0 8 -1 105 442.498 6 ↓
Mid Mid (pH 6-8) 2.89 6.5 -18.06 1 8 0 102 443.506 5 ↓
Mid Mid (pH 6-8) 1.86 7.35 -17.43 0 8 0 99 443.506 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )