UCSF

ZINC08969643

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 Yes

Popular Name: 2-benzo[1,3]dioxol-5-yl-4-hydroxy-8-methylsulfanyl-5,7,9-triazabicyclo[4.4.0]deca-4,7,11-trien-10-on 2-benzo[1,3]dioxol-5-yl-4-hydrox…

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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) 1.97 3.86 -12.61 2 7 0 93 331.353 2 ↓
Ref Reference (pH 7) 2.61 -0.81 -49.6 1 7 -1 100 330.345 2 ↓
Mid Mid (pH 6-8) 2.43 1.93 -41.77 1 7 -1 96 330.345 2 ↓
Mid Mid (pH 6-8) 2.15 1.13 -13.58 2 7 0 97 331.353 2 ↓
Mid Mid (pH 6-8) 1.97 3.34 -19.21 2 7 0 93 331.353 2 ↓

Activity (Go SEA)

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