UCSF

ZINC38440253

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 23 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) 2.77 6.55 -12.34 1 4 0 60 303.365 1
Mid Mid (pH 6-8) 2.77 6.98 -32.75 2 4 1 61 304.373 1

Activity (Go SEA)

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