UCSF

ZINC49236340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 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) 1.49 8.87 -12.43 2 5 0 62 259.288 3
Mid Mid (pH 6-8) 1.49 9.38 -46.94 3 5 1 63 260.296 3
Mid Mid (pH 6-8) 1.49 9.34 -38.52 3 5 1 63 260.296 3
Mid Mid (pH 6-8) 1.49 9.85 -90.62 4 5 2 64 261.304 3

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

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