UCSF

ZINC57879184

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 25 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) 1.68 3.74 -14.8 3 6 0 99 360.483 5
Mid Mid (pH 6-8) 1.68 5.97 -60.35 4 6 1 100 361.491 5

Activity (Go SEA)

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