UCSF

ZINC37232306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.35 3.43 -4.78 1 4 0 34 296.386 7
Mid Mid (pH 6-8) 2.35 5.69 -38.89 2 4 1 35 297.394 7
Lo Low (pH 4.5-6) 2.35 6.83 -114.96 3 4 2 40 298.402 7

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

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