UCSF

ZINC09177954

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 36 No

Popular Name: 4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-methylene]-5-(3-methoxyphenyl 4-[hydroxy-(8-methyl-1,7-diazabi…

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Download: MOL2 SDF SMILES Flexibase

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) 2.38 7.36 -63.62 0 9 -1 99 489.552 8 ↓
Mid Mid (pH 6-8) 2.83 10.68 -48.19 2 9 1 98 491.568 7 ↓
Mid Mid (pH 6-8) 2.83 11.09 -95.26 3 9 2 99 492.576 7 ↓
Mid Mid (pH 6-8) 2.38 9.69 -76.96 1 9 0 101 490.56 8 ↓

Activity (Go SEA)

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