UCSF

ZINC65314461

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 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) 2.58 8.79 -16.64 2 8 0 101 381.436 7
Hi High (pH 8-9.5) 2.59 8.23 -63.99 1 8 -1 104 380.428 8

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

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