UCSF

ZINC33795937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 4.74 12.05 -42.26 0 9 -1 128 504.475 6
Lo Low (pH 4.5-6) 4.74 10.92 -22.89 1 9 0 126 505.483 6

Activity (Go SEA)

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