UCSF

ZINC17056407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 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) 2.97 6.92 -43.43 1 5 -1 78 322.287 5
Lo Low (pH 4.5-6) 2.97 4.97 -10.38 2 5 0 76 323.295 5

Activity (Go SEA)

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