UCSF

ZINC19668758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 2.33 3.62 -40.62 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.33 2.28 -5.33 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.33 6.19 -124.72 4 4 2 51 294.439 6

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