UCSF

ZINC41584355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.83 6.78 -15.41 1 9 0 104 458.511 14
Hi High (pH 8-9.5) 3.83 6.01 -49.88 0 9 -1 106 457.503 14
Mid Mid (pH 6-8) 3.83 7.48 -38.94 2 9 1 105 459.519 14

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

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