UCSF

ZINC44608898

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.90 2.57 -40.7 3 3 1 44 240.396 4
Lo Low (pH 4.5-6) 0.90 4.51 -112.34 4 3 2 45 241.404 4

Activity (Go SEA)

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