UCSF

ZINC97062502

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2014 16 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) -0.03 6.61 -50.04 1 5 1 57 232.3 10
Mid Mid (pH 6-8) -0.03 4.28 -12.72 0 5 0 56 231.292 10

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

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