UCSF

ZINC96347624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2014 22 No

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) -2.49 -2.6 -135.27 4 12 -2 192 331.181 3
Lo Low (pH 4.5-6) -2.49 -3.75 -48.16 5 12 -1 189 332.189 3

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

No pre-computed analogs available. Try a structural similarity search.