UCSF

ZINC27179304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 29 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) 0.22 8.16 -98.05 2 9 0 116 403.414 6
Lo Low (pH 4.5-6) -3.36 7.22 -71.71 3 9 1 119 404.422 5

Activity (Go SEA)

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