UCSF

ZINC17975576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 25 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) 2.09 5.83 -12.85 2 7 0 112 375.479 4
Mid Mid (pH 6-8) 2.55 4.1 -42.86 1 7 -1 115 374.471 4

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

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