UCSF

ZINC60022749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 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) 4.51 12.55 -53.97 2 6 1 49 457.598 7
Mid Mid (pH 6-8) 4.51 10.32 -12.85 1 6 0 48 456.59 7

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

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