UCSF

ZINC04598476

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 30 Yes

Popular Name: 4-(7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl)-N-(4-phenylphenyl)-but 4-(7,7-dioxo-7$l^{6}-thia-8,10-d…

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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) 4.46 8.8 -36.37 2 6 0 88 419.506 6 ↓
Hi High (pH 8-9.5) 3.81 -4.53 -50.61 1 6 -1 89 418.498 6 ↓

Activity (Go SEA)

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