UCSF

ZINC40019070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 5.58 14.32 -74.76 1 7 0 83 522.686 16
Lo Low (pH 4.5-6) 5.58 13.55 -49.75 2 7 1 81 523.694 16

Activity (Go SEA)

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