UCSF

ZINC05562910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 31 No

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) 4.09 11.08 -61.58 0 5 -1 78 414.412 5
Mid Mid (pH 6-8) 4.54 2.38 -30.22 1 5 0 74 415.42 4

Activity (Go SEA)

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