UCSF

ZINC03332312

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 28 Yes

Popular Name: 4-amino-2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]thio]pyrim 4-amino-2-[[2-[(3-carbamoyl-5,6-…

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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) 1.27 3.6 -15.03 5 9 0 150 421.504 8 ↓
Lo Low (pH 4.5-6) 1.27 3.85 -47.68 6 9 1 152 422.512 8 ↓
Lo Low (pH 4.5-6) 1.27 0.32 -36.56 6 9 1 152 422.512 8 ↓

Activity (Go SEA)

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