UCSF

ZINC57864691

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 1.61 8.4 -38.74 2 5 1 54 350.508 7
Mid Mid (pH 6-8) 1.61 6.25 -11.63 1 5 0 53 349.5 7

Activity (Go SEA)

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