UCSF

ZINC52704152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.92 7.91 -43.3 3 6 1 77 376.521 9
Hi High (pH 8-9.5) 2.92 5.97 -15.74 2 6 0 76 375.513 9

Activity (Go SEA)

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