UCSF

ZINC45703389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.61 2.41 -3.56 1 3 0 33 213.321 1
Mid Mid (pH 6-8) 1.61 4.19 -28.75 2 3 1 34 214.329 1

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