UCSF

ZINC66074267

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.43 9.6 -56.75 2 5 0 59 396.898 4
Hi High (pH 8-9.5) 4.88 7.44 -46.9 0 5 -1 61 394.882 4
Mid Mid (pH 6-8) 4.43 9.49 -12.17 1 5 0 58 395.89 4

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

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