UCSF

ZINC52704833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.55 6.93 -35.2 3 5 1 68 361.293 9
Hi High (pH 8-9.5) 2.55 4.85 -8.42 2 5 0 67 360.285 9

Activity (Go SEA)

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