UCSF

ZINC61326903

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 5.82 -37.71 3 3 1 45 246.359 1
Hi High (pH 8-9.5) 2.13 4.89 -25.35 3 3 1 42 246.359 1
Hi High (pH 8-9.5) 2.13 4.6 -8.93 2 3 0 41 245.351 1
Mid Mid (pH 6-8) 2.13 6.17 -104.45 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.