UCSF

ZINC40776287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 1.95 4.43 -15.85 1 8 0 80 409.442 3
Mid Mid (pH 6-8) 1.95 6.64 -61.45 2 8 1 82 410.45 3

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