UCSF

ZINC19715279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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) 3.22 6.82 -26.78 2 8 0 104 387.465 6
Mid Mid (pH 6-8) 3.04 5.74 -58.77 1 8 -1 111 386.457 6

Activity (Go SEA)

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