UCSF

ZINC06068779

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 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) 2.74 6.78 -56.39 1 5 -1 87 297.286 2
Hi High (pH 8-9.5) 2.74 7.4 -114.94 0 5 -2 89 296.278 2
Mid Mid (pH 6-8) 2.74 6.08 -13.95 2 5 0 84 298.294 2

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

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