UCSF

ZINC41587080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 2.38 4.07 -22.91 0 9 0 105 501.557 5
Lo Low (pH 4.5-6) 2.38 7.15 -75 1 9 1 106 502.565 5

Activity (Go SEA)

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