UCSF

ZINC62855688

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 21 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) -0.31 1.95 -86.18 6 6 2 93 298.431 5
Mid Mid (pH 6-8) -0.31 -0.25 -39.58 5 6 1 92 297.423 5

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

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