UCSF

ZINC62034044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 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) 1.95 5.46 -36.14 3 5 1 68 289.334 5
Mid Mid (pH 6-8) 1.95 5.29 -10.78 2 5 0 67 288.326 5
Lo Low (pH 4.5-6) 1.95 5.51 -35.21 3 5 1 68 289.334 5

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

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