UCSF

ZINC38850755

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 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) 3.94 12.01 -44.52 1 4 1 28 457.436 5
Mid Mid (pH 6-8) 3.94 14.22 -105.38 2 4 2 29 458.444 5

Activity (Go SEA)

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