UCSF

ZINC20255734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 30 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) 2.85 10.65 -12.07 0 6 0 65 397.434 5
Lo Low (pH 4.5-6) 2.85 11.09 -44.57 1 6 1 66 398.442 5

Activity (Go SEA)

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