UCSF

ZINC94568708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2013 29 Yes

Other Names:

MFCD00065675

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) 2.01 10.03 -71.61 4 6 0 114 397.471 10
Hi High (pH 8-9.5) 2.01 9.76 -50.79 3 6 -1 113 396.463 10

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

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