UCSF

ZINC96875463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2014 37 No

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) 8.15 14.98 -8.06 1 4 0 55 506.775 3
Mid Mid (pH 6-8) 8.15 14.99 -8.01 1 4 0 55 506.775 3
Lo Low (pH 4.5-6) 8.15 15.13 -32.33 2 4 1 56 507.783 3

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

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