UCSF

ZINC31545402

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 24 No

Popular Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((((2-amino-2-carboxyethyl)thio)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(R *)))-; Antibiotic rit-D 2214; LS-149715; RIT 2214; RIT-D 2214 4-Thia-1-azabicyclo(3.2.0)heptan…

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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) -2.81 1.69 -79.03 4 9 -1 157 376.436 7 ↓
Hi High (pH 8-9.5) -2.81 1.35 -98.3 3 9 -2 156 375.428 7 ↓

Activity (Go SEA)

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