UCSF

ZINC09514215

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 22 Yes

Popular Name: N-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-2-(4H-1,2,4-triazol-3-yl N-(7,8-dimethyl-5-oxo-9-thia-2,4…

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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) 0.49 6.29 -17.04 2 8 0 106 336.402 4 ↓
Hi High (pH 8-9.5) 0.49 6.09 -46.16 1 8 -1 104 335.394 4 ↓

Activity (Go SEA)

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