UCSF

ZINC38655405

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 17 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) 1.14 7.03 -35.74 1 5 1 57 242.295 4
Mid Mid (pH 6-8) 1.14 5.64 -8.04 0 5 0 56 241.287 4

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