UCSF

ZINC09560712

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 21 Yes

Popular Name: N-(2-hydroxy-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)benzenesulfonamide N-(2-hydroxy-4-methyl-1,5,7,9-te…

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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) 0.88 5.05 -45.28 1 8 -1 112 304.311 3 ↓
Hi High (pH 8-9.5) 0.88 -4.58 -40.23 1 8 -1 111 304.311 3 ↓
Mid Mid (pH 6-8) 0.88 5.73 -131.42 0 8 -2 114 303.303 3 ↓

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Rings

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

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