UCSF

ZINC43707902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) 2.40 5.12 -51.93 3 4 1 55 355.039 2
Hi High (pH 8-9.5) 2.40 3.77 -9.44 2 4 0 50 354.031 2

Activity (Go SEA)

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