UCSF

ZINC44688962

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.41 5.39 -35.23 4 3 1 42 218.324 3
Lo Low (pH 4.5-6) 2.41 5.25 -94.36 5 3 2 44 219.332 3

Activity (Go SEA)

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