UCSF

ZINC05562974

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 No

Popular Name: 2-methoxy-6-[(9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)aminoiminomethyl]phe 2-methoxy-6-[(9-phenyl-7-thia-3,…

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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) 3.98 9.2 -13.87 2 6 0 80 376.441 5 ↓
Hi High (pH 8-9.5) 3.98 10.11 -57.88 1 6 -1 82 375.433 5 ↓
Hi High (pH 8-9.5) 3.98 11.36 -43.85 1 6 -1 86 375.433 5 ↓

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Rings

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

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