UCSF

ZINC33795887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 2.47 7.36 -66.92 0 8 -1 109 432.437 5
Lo Low (pH 4.5-6) 2.47 6.54 -20.51 1 8 0 106 433.445 5

Activity (Go SEA)

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