UCSF

ZINC37335130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

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) 0.61 0.88 -55.74 1 7 0 89 291.307 5
Hi High (pH 8-9.5) 0.61 -1.59 -38.33 0 7 -1 87 290.299 5
Mid Mid (pH 6-8) 0.15 1.19 -7.35 1 7 0 84 291.307 5
Mid Mid (pH 6-8) 0.15 3.54 -46.19 2 7 1 86 292.315 5

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

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