UCSF

ZINC04336874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 27 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) 4.53 1.52 -8.41 0 6 0 74 393.867 8
Mid Mid (pH 6-8) 4.53 1.37 -7.95 0 6 0 74 393.867 8
Mid Mid (pH 6-8) 4.71 0.3 -6.74 0 6 0 74 393.867 8

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

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