UCSF

ZINC86864264

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 29 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) 2.54 7.93 -46.21 5 6 1 103 399.511 11
Mid Mid (pH 6-8) 2.54 8.76 -30.46 4 6 0 106 398.503 11
Mid Mid (pH 6-8) 2.54 7.68 -7.35 4 6 0 102 398.503 11

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

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