UCSF

ZINC62314771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 24 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) 0.87 5.72 -10.28 0 6 0 49 334.464 6
Mid Mid (pH 6-8) 0.87 7.74 -45.21 1 6 1 50 335.472 6
Lo Low (pH 4.5-6) 0.87 8.25 -90.33 2 6 2 51 336.48 6

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

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