UCSF

ZINC13860015

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 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) 1.10 6.58 -54.96 2 7 -1 110 248.266 6
Lo Low (pH 4.5-6) 1.10 6.84 -65.36 3 7 0 111 249.274 6
Lo Low (pH 4.5-6) 1.10 2.46 -65.57 3 7 0 111 249.274 6

Activity (Go SEA)

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