UCSF

ZINC48938978

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 16 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) -0.25 2.07 -10.45 1 6 0 75 237.288 3
Mid Mid (pH 6-8) -0.25 2.05 -39.53 0 6 -1 73 236.28 3

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

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