UCSF

ZINC42117101

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 1.26 3.36 -9.93 2 5 0 70 278.352 5
Hi High (pH 8-9.5) 1.26 4.12 -41.08 1 5 -1 72 277.344 5

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Rings

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