UCSF

ZINC66650000

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 No

Popular Name: (6R)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophene (6R)-N-[(4-isopropyl-5-sulfanyl-…

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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) 2.12 8.87 -12.41 2 5 0 63 350.513 4 ↓
Mid Mid (pH 6-8) 2.85 8.67 -42.88 1 5 -1 60 349.505 4 ↓

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

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