UCSF

ZINC19785081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 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) 0.68 2.75 -44.06 2 6 1 56 311.402 6
Mid Mid (pH 6-8) 0.68 0.29 -9.81 1 6 0 54 310.394 6

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