UCSF

ZINC53609635

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 17 Yes

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 2.26 8.45 -53.68 2 4 1 47 289.837 6 ↓
Mid Mid (pH 6-8) 2.26 7.1 -11.18 1 4 0 43 288.829 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.