UCSF

ZINC39881798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.81 10.04 -13.75 0 4 0 37 362.473 4
Mid Mid (pH 6-8) 3.81 12.27 -54.33 1 4 1 38 363.481 4

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