UCSF

ZINC21313416

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 28 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) 4.69 7.4 -49.88 1 7 -1 110 408.337 5
Lo Low (pH 4.5-6) 4.69 7.95 -22.07 2 7 0 108 409.345 5

Activity (Go SEA)

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