UCSF

ZINC34528116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 5.36 9.67 -8.05 0 4 0 42 356.425 1
Lo Low (pH 4.5-6) 5.36 10.04 -36.2 1 4 1 44 357.433 1

Activity (Go SEA)

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