UCSF

ZINC21281324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.41 5.97 -21.54 2 7 0 101 420.541 7
Mid Mid (pH 6-8) 3.41 6 -53.82 1 7 -1 103 419.533 7

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