UCSF

ZINC42447744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.90 4.13 -28.42 3 5 1 69 247.322 4
Hi High (pH 8-9.5) 0.90 4.04 -10.2 2 5 0 68 246.314 4
Mid Mid (pH 6-8) 0.90 4.23 -23.96 3 5 1 69 247.322 4
Mid Mid (pH 6-8) 0.90 4.6 -106.31 4 5 2 71 248.33 4
Lo Low (pH 4.5-6) 0.90 4.54 -106.63 4 5 2 71 248.33 4

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

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