UCSF

ZINC36127001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.72 8.91 -18.91 1 5 0 56 323.396 8
Lo Low (pH 4.5-6) 2.72 9.35 -40.47 2 5 1 57 324.404 8

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

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