UCSF

ZINC77980160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 30 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) 2.24 8.74 -22.41 1 7 0 88 404.47 5
Lo Low (pH 4.5-6) 2.24 9.2 -50.2 2 7 1 90 405.478 5

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

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