UCSF

ZINC57920528

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 2.56 6.86 -40.46 3 6 1 72 380.484 8
Mid Mid (pH 6-8) 2.56 4.64 -11.43 2 6 0 71 379.476 8

Activity (Go SEA)

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