UCSF

ZINC98230225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 33 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) -4.21 -7.82 -412.8 16 12 5 214 482.643 7
Hi High (pH 8-9.5) -4.21 -9.67 -102.82 13 12 2 206 479.619 7
Hi High (pH 8-9.5) -4.21 -9.32 -179.56 14 12 3 208 480.627 7
Hi High (pH 8-9.5) -4.21 -10.21 -41.58 12 12 1 204 478.611 7
Mid Mid (pH 6-8) -4.21 -8.15 -251.66 15 12 4 212 481.635 7

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

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