UCSF

ZINC38450489

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 24 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) 0.47 3.96 -15.76 1 7 0 79 330.388 5
Mid Mid (pH 6-8) 0.47 6.02 -51.57 2 7 1 80 331.396 5
Mid Mid (pH 6-8) 0.92 3.46 -49.17 1 7 0 83 330.388 5

Activity (Go SEA)

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