UCSF

ZINC44019833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 30 No

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) 2.07 3.07 -50.1 3 8 0 116 407.426 3
Hi High (pH 8-9.5) 2.07 3.65 -52.46 2 8 0 119 406.418 3
Mid Mid (pH 6-8) 2.07 4.53 -43.2 4 8 0 121 408.434 3

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

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