UCSF

ZINC66649983

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Substance Information

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

Popular Name: N-[3-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methylamino]-3-oxo-propyl]thiophene-2-carboxamide N-[3-[(4-isopropyl-5-sulfanyl-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) 0.16 4.79 -21.32 3 7 0 92 353.473 7 ↓
Mid Mid (pH 6-8) 0.88 4.6 -49.98 2 7 -1 89 352.465 7 ↓

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

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