UCSF

ZINC09123715

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 37 No

Popular Name: 4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-hydroxy-methylene]-1-(2-morpholin 4-[(5,8-dimethyl-1,7-diazabicycl…

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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) 2.44 9.12 -56.43 0 11 -1 136 504.523 7 ↓
Mid Mid (pH 6-8) 2.88 11.76 -54.08 2 11 1 134 506.539 6 ↓
Mid Mid (pH 6-8) 2.88 12.2 -109.75 3 11 2 136 507.547 6 ↓
Mid Mid (pH 6-8) 2.44 11.47 -74.42 1 11 0 137 505.531 7 ↓
Lo Low (pH 4.5-6) 2.44 11.88 -90.66 2 11 1 138 506.539 7 ↓

Activity (Go SEA)

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