UCSF

ZINC00419066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 Yes

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) 3.77 6.42 -8.6 1 3 0 41 330.84 1
Lo Low (pH 4.5-6) 3.77 7.37 -29.5 2 3 1 43 331.848 1

Activity (Go SEA)

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