UCSF

ZINC86864962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 15 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) -0.64 -0.47 -50.47 5 5 1 94 212.225 5
Mid Mid (pH 6-8) -0.64 0.31 -40.12 4 5 0 97 211.217 5
Mid Mid (pH 6-8) -0.64 -0.9 -8.63 4 5 0 93 211.217 5

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

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