UCSF

ZINC41663133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 4.07 8.82 -8.73 0 5 0 46 378.472 4
Mid Mid (pH 6-8) 4.07 11.29 -45.7 1 5 1 47 379.48 4
Lo Low (pH 4.5-6) 4.07 12.08 -111.56 2 5 0 48 380.488 4

Activity (Go SEA)

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