UCSF

ZINC53898464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 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) 1.95 9.6 -69.82 3 5 0 53 288.395 6
Hi High (pH 8-9.5) 1.95 8.83 -16.06 1 5 0 50 286.379 6
Mid Mid (pH 6-8) 1.95 9.34 -38.12 2 5 1 51 287.387 6
Mid Mid (pH 6-8) 1.95 9.09 -26.62 2 5 0 51 287.387 6

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

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