UCSF

ZINC36636556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 2.24 9.4 -61.34 3 8 1 89 400.482 10
Hi High (pH 8-9.5) 2.24 7.29 -23.86 2 8 0 87 399.474 10

Activity (Go SEA)

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