UCSF

ZINC52538333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.28 8.78 -39.06 1 5 -1 74 385.49 5
Hi High (pH 8-9.5) 4.32 7.98 -116.87 0 5 -2 74 384.482 5
Mid Mid (pH 6-8) 3.36 10.98 -10.11 2 5 0 67 386.498 6
Mid Mid (pH 6-8) 3.40 9.98 -45.91 1 5 -1 68 385.49 6

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

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