UCSF

ZINC20264300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 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) 4.01 12.22 -72.94 1 6 0 74 454.592 12
Lo Low (pH 4.5-6) 4.01 11.41 -48.5 2 6 1 71 455.6 12

Activity (Go SEA)

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