UCSF

ZINC39302812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 38 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) 4.22 13.36 -23.55 0 7 0 62 519.686 8
Mid Mid (pH 6-8) 4.22 15.58 -66.03 1 7 1 64 520.694 8

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