UCSF

ZINC39974899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 No

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) 2.65 8.58 -58.24 3 6 1 66 405.569 6
Hi High (pH 8-9.5) 2.65 6.4 -54.91 1 6 -1 67 403.553 6
Mid Mid (pH 6-8) 2.65 6.21 -15.7 2 6 0 65 404.561 6

Activity (Go SEA)

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