UCSF

ZINC62320561

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) 1.74 5.75 -35.83 2 5 1 60 325.186 3
Hi High (pH 8-9.5) 1.74 6.66 -50.57 0 5 -1 61 323.17 3
Mid Mid (pH 6-8) 1.74 5.68 -10.7 1 5 0 58 324.178 3

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

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