UCSF

ZINC69237405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 2.77 8.18 -125.57 4 2 2 32 260.425 5
Hi High (pH 8-9.5) 2.77 6.42 -1.21 2 2 0 29 258.409 5
Mid Mid (pH 6-8) 2.77 7.76 -32.3 3 2 1 30 259.417 5
Mid Mid (pH 6-8) 2.77 6.79 -42.17 3 2 1 31 259.417 5

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

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