UCSF

ZINC09263959

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 28 No

Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(3-methoxyphenyl)carbamoylmethyl]-4-methyl-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 0.90 4.59 -30.62 2 9 0 111 420.52 7 ↓
Mid Mid (pH 6-8) 0.90 5.72 -48.72 3 9 1 112 421.528 7 ↓
Mid Mid (pH 6-8) 0.90 4.89 -30.45 2 9 0 111 420.52 7 ↓
Mid Mid (pH 6-8) 1.09 2.4 -23.89 2 9 0 114 420.52 7 ↓

Activity (Go SEA)

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