UCSF

ZINC52943701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 18 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) 2.94 6.16 -24.51 3 4 1 54 246.334 3
Mid Mid (pH 6-8) 2.94 5.97 -10.84 2 4 0 53 245.326 3

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

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