UCSF

ZINC39021775

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 15 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) 1.55 3.99 -34.66 3 3 0 68 219.162 3
Mid Mid (pH 6-8) 1.55 3.74 -43.98 2 3 -1 66 218.154 3

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

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