UCSF

ZINC22158365

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.07 2.03 -53.66 1 7 -1 106 294.312 5
Lo Low (pH 4.5-6) 0.07 2.47 -77.92 2 7 0 107 295.32 5

Activity (Go SEA)

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