UCSF

ZINC62314071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 26 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) 0.77 -0.75 -50.77 1 9 -1 138 397.41 5
Hi High (pH 8-9.5) 1.23 -3.38 -114.75 0 9 -2 141 396.402 5
Mid Mid (pH 6-8) 0.77 -0.81 -22.53 2 9 0 136 398.418 5

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

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