UCSF

ZINC62525830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.32 5.01 -10.68 1 5 0 53 309.435 4
Hi High (pH 8-9.5) 2.32 4.87 -49.69 0 5 -1 55 308.427 4

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

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