UCSF

ZINC53114583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.20 2.45 -3.96 4 3 0 58 234.343 3
Lo Low (pH 4.5-6) 2.20 2.31 -40.41 5 3 1 60 235.351 3

Activity (Go SEA)

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