UCSF

ZINC65506322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.35 4.22 -89.92 4 5 2 73 268.32 1
Mid Mid (pH 6-8) 1.35 3.73 -34.48 3 5 1 72 267.312 1
Mid Mid (pH 6-8) 1.35 5.35 -190.81 5 5 3 78 269.328 1
Lo Low (pH 4.5-6) 1.35 4.88 -93.51 4 5 2 76 268.32 1

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

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