UCSF

ZINC20101765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.74 7.66 -53.67 0 6 -1 73 504.788 6
Mid Mid (pH 6-8) 3.74 10.01 -65.65 1 6 0 74 505.796 6

Activity (Go SEA)

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