UCSF

ZINC00946580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 5.48 13.84 -44.34 1 4 1 33 361.513 3
Mid Mid (pH 6-8) 5.48 11.48 -8.25 0 4 0 32 360.505 3
Mid Mid (pH 6-8) 5.48 14.19 -79.57 2 4 2 35 362.521 3

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

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