UCSF

ZINC57995859

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.15 6.92 -16.64 2 7 0 85 366.421 8
Mid Mid (pH 6-8) 2.15 7.41 -38.66 3 7 1 87 367.429 8

Activity (Go SEA)

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