UCSF

ZINC86863031

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 12 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) -0.78 -2.13 -13.55 3 6 0 81 168.156 0
Mid Mid (pH 6-8) -0.78 -2.08 -13.14 3 6 0 81 168.156 0
Lo Low (pH 4.5-6) -0.78 -1.64 -44.82 4 6 1 82 169.164 0

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

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