UCSF

ZINC16623367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 22 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) 1.76 8.63 -14.5 1 5 0 69 294.358 5
Lo Low (pH 4.5-6) 1.76 8.91 -46.8 2 5 1 70 295.366 5

Activity (Go SEA)

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