UCSF

ZINC41584376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.26 6.71 -41.61 2 7 1 86 385.44 9
Mid Mid (pH 6-8) 2.26 4.47 -14.98 1 7 0 85 384.432 9
Lo Low (pH 4.5-6) 2.26 7.18 -79.93 3 7 2 87 386.448 9

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

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