UCSF

ZINC27704571

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 29 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) 4.02 6.32 -13.36 3 6 0 77 438.355 7
Lo Low (pH 4.5-6) 4.02 8.63 -43.95 4 6 1 78 439.363 7

Activity (Go SEA)

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