UCSF

ZINC12296797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2008 23 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) 0.55 -2.35 -19.97 2 7 0 93 311.345 5
Mid Mid (pH 6-8) 0.55 -2.07 -48.76 3 7 1 94 312.353 5
Mid Mid (pH 6-8) 0.55 -2.28 -20.86 2 7 0 93 311.345 5

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

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