UCSF

ZINC05931729

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 Yes

Popular Name: N-cyclooctyl-4-(10,10-dioxo-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,8,11-tetraen-8-yl)-3-methy N-cyclooctyl-4-(10,10-dioxo-10$l…

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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) 4.12 6.65 -32.01 2 6 0 88 391.537 5 ↓
Hi High (pH 8-9.5) 4.12 6.24 -49.35 1 6 -1 90 390.529 5 ↓

Activity (Go SEA)

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