UCSF

ZINC05464071

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 29 No

Other Names:

MFCD03268938

Download: MOL2 SDF SMILES Flexibase

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) 4.64 11.16 -64.23 0 5 -1 73 403.483 5
Mid Mid (pH 6-8) 5.09 0.45 -23.83 1 5 0 70 404.491 4

Activity (Go SEA)

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