UCSF

ZINC22014360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 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) 3.35 5.26 -13.54 1 6 0 78 280.324 7
Lo Low (pH 4.5-6) 3.35 5.7 -45.7 2 6 1 79 281.332 7

Activity (Go SEA)

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