UCSF

ZINC52188174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 23 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) 1.93 5.73 -47.79 3 6 1 66 321.445 10
Mid Mid (pH 6-8) 1.93 3.54 -17.92 2 6 0 65 320.437 10
Lo Low (pH 4.5-6) 1.93 6.17 -75.16 4 6 0 67 322.453 10

Activity (Go SEA)

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