UCSF

ZINC39301108

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 5.47 13.14 -13.26 3 7 0 88 439.519 8
Lo Low (pH 4.5-6) 5.47 12.76 -41.32 4 7 1 89 440.527 8

Activity (Go SEA)

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