UCSF

ZINC20583130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 22 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) 3.10 5.32 -15.7 1 5 0 60 320.414 7
Lo Low (pH 4.5-6) 3.10 6.31 -34.18 2 5 1 62 321.422 7

Activity (Go SEA)

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