UCSF

ZINC65329797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 21 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) -0.78 1.62 -29.79 2 8 0 110 287.279 4
Hi High (pH 8-9.5) -0.59 -1.1 -53.51 1 8 -1 116 286.271 4
Mid Mid (pH 6-8) -0.78 2.13 -59.7 3 8 1 111 288.287 4

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

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