UCSF

ZINC53335558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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 2.62 -72.03 2 5 0 69 207.262 1
Mid Mid (pH 6-8) 0.64 1.25 -43.32 1 5 -1 65 206.254 1
Mid Mid (pH 6-8) 0.64 2.78 -54.15 3 5 1 71 208.27 1
Mid Mid (pH 6-8) 0.64 2.76 -51.82 3 5 1 71 208.27 1

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

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