UCSF

ZINC61326907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 17 Yes

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) 2.13 5.91 -37.3 3 3 1 45 246.359 1
Hi High (pH 8-9.5) 2.13 4.95 -27.85 3 3 1 42 246.359 1
Hi High (pH 8-9.5) 2.13 4.25 -8.52 2 3 0 41 245.351 1
Mid Mid (pH 6-8) 2.13 6.3 -104.2 4 3 2 47 247.367 1

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

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