UCSF

ZINC00949655

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 28 No

Popular Name: N-(4-benzyl-7-thia-4,9-diazabicyclo[4.3.0]nona-8,10-dien-8-yl)-2-cyano-3-(2-thienyl)prop-2-enamide N-(4-benzyl-7-thia-4,9-diazabicy…

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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) 3.68 11.51 -47.97 2 5 1 70 407.544 5 ↓
Mid Mid (pH 6-8) 3.68 9.24 -11.69 1 5 0 69 406.536 5 ↓

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

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