UCSF

ZINC33724689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 5.07 9.36 -45.67 1 8 -1 112 515.567 8
Lo Low (pH 4.5-6) 5.07 8.23 -25.15 2 8 0 109 516.575 8

Activity (Go SEA)

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