UCSF

ZINC44608871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.07 4.43 -47.23 3 3 1 44 296.504 4
Lo Low (pH 4.5-6) 2.07 6.65 -123.49 4 3 2 45 297.512 4

Activity (Go SEA)

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