UCSF

ZINC40776255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 0.66 2.07 -12.02 1 6 0 62 289.335 1
Mid Mid (pH 6-8) 0.66 4.43 -52.7 2 6 1 63 290.343 1

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