UCSF

ZINC17195815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 18 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) -0.62 2.84 -35.44 0 8 -1 97 248.222 0
Lo Low (pH 4.5-6) -0.31 4.83 -10.07 1 8 0 91 249.23 0

Activity (Go SEA)

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