UCSF

ZINC37269533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 1.17 3.15 -43.68 2 4 1 38 239.339 7
Hi High (pH 8-9.5) 1.17 4.02 -41.67 2 4 1 35 239.339 7
Lo Low (pH 4.5-6) 1.17 5.46 -121.03 3 4 2 40 240.347 7

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