UCSF

ZINC55104048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 29 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) 4.50 9.53 -13.86 1 6 0 74 392.455 5
Mid Mid (pH 6-8) 4.50 10.55 -59.56 0 6 -1 76 391.447 5
Lo Low (pH 4.5-6) 4.50 9.84 -39.04 2 6 1 75 393.463 5

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

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