UCSF

ZINC08769401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 22 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) 1.68 6.45 -64.28 1 7 -1 95 298.326 3
Hi High (pH 8-9.5) 1.92 6.74 -56.15 1 7 -1 91 298.326 4
Mid Mid (pH 6-8) 1.92 7.81 -27.23 2 7 0 89 299.334 4
Lo Low (pH 4.5-6) 1.92 8.69 -30.19 3 7 1 90 300.342 4

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

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