UCSF

ZINC13220353

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 28 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) 1.19 4.74 -61.38 4 7 1 109 378.408 2
Lo Low (pH 4.5-6) 1.19 4.99 -119.24 5 7 2 110 379.416 2

Activity (Go SEA)

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