UCSF

ZINC20190066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 1.62 6.56 -40.85 2 4 1 34 265.425 5
Lo Low (pH 4.5-6) 1.62 7.83 -113.14 3 4 2 39 266.433 5

Activity (Go SEA)

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