UCSF

ZINC07109200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.81 6.7 -47.7 2 5 1 54 350.439 4
Hi High (pH 8-9.5) 2.81 4.39 -53.03 0 5 -1 55 348.423 4
Hi High (pH 8-9.5) 2.81 6.74 -72.72 1 5 0 56 349.431 4
Mid Mid (pH 6-8) 2.81 4.35 -10.62 1 5 0 53 349.431 4

Activity (Go SEA)

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