UCSF

ZINC13959842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 34 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) 5.01 10.4 -15.63 3 8 0 131 482.468 6
Lo Low (pH 4.5-6) 5.01 10.64 -44.27 4 8 1 132 483.476 6

Activity (Go SEA)

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