UCSF

ZINC65355872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.48 8.11 -37.37 3 4 0 80 264.284 2
Mid Mid (pH 6-8) 3.48 7.7 -57.61 2 4 -1 79 263.276 2

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

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