UCSF

ZINC09421842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 Yes

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) 1.45 -0.03 -36.66 3 8 -1 128 419.405 5
Mid Mid (pH 6-8) 1.45 -2.15 -50.96 3 8 -1 127 419.405 5
Mid Mid (pH 6-8) 1.82 1.4 -9.76 4 8 0 122 420.413 5

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

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