UCSF

ZINC62460624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 1.42 8.54 -104.72 3 5 2 47 299.459 9
Hi High (pH 8-9.5) 1.42 6.37 -45.04 2 5 1 46 298.451 9
Hi High (pH 8-9.5) 1.42 6.29 -39.75 2 5 1 46 298.451 9

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

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