UCSF

ZINC52503736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.33 7.55 -109.48 3 3 2 34 257.447 8
Hi High (pH 8-9.5) 2.33 3.72 -3.68 1 3 0 28 255.431 8
Hi High (pH 8-9.5) 2.33 5.32 -37.72 2 3 1 33 256.439 8

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