UCSF

ZINC19687860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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 3.71 -37.93 2 4 1 40 240.371 4
Hi High (pH 8-9.5) 1.17 2.42 -8.66 1 4 0 36 239.363 4
Mid Mid (pH 6-8) 1.17 5.97 -94.64 3 4 2 41 241.379 4

Activity (Go SEA)

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