UCSF

ZINC52503723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.56 3.01 -39.54 2 3 1 33 214.358 6
Hi High (pH 8-9.5) 1.56 1.56 -3.3 1 3 0 28 213.35 6
Lo Low (pH 4.5-6) 1.56 4.69 -114.52 3 3 2 34 215.366 6

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