UCSF

ZINC60293609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.12 5.07 -12.24 1 4 0 49 219.288 2
Mid Mid (pH 6-8) 1.12 5.64 -25.6 2 4 1 50 220.296 2

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

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