UCSF

ZINC37844965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.94 6.87 -9.1 0 4 0 38 320.19 1
Lo Low (pH 4.5-6) 1.94 7.27 -37.77 1 4 1 39 321.198 1

Activity (Go SEA)

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