UCSF

ZINC36637506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.96 10.2 -51.49 1 6 1 56 420.942 7
Hi High (pH 8-9.5) 3.96 7.7 -10.23 0 6 0 55 419.934 7

Activity (Go SEA)

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