UCSF

ZINC43454549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.37 7.14 -94.5 4 3 2 35 285.52 10
Hi High (pH 8-9.5) 3.37 5.18 -41.56 3 3 1 34 284.512 10

Activity (Go SEA)

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