UCSF

ZINC40078901

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.71 12.45 -58.76 0 7 -1 88 494.608 14
Lo Low (pH 4.5-6) 5.71 11.7 -14.55 1 7 0 85 495.616 14

Activity (Go SEA)

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