UCSF

ZINC06703861

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 13 Yes

Popular Name: 3-Methylmercapto-5-(4-pyridyl)-1,2,4(H)-triazole; 4H-1,2,4-Triazole, 3-methylthio-5-(4-pyridyl)-; LS-131854; Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- 3-Methylmercapto-5-(4-pyridyl)-1…

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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) 1.14 3.76 -10.68 1 4 0 54 192.247 2 ↓
Hi High (pH 8-9.5) 1.14 3.59 -40.11 0 4 -1 53 191.239 2 ↓

Activity (Go SEA)

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