UCSF

ZINC34829915

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 4.20 12.01 -12.65 0 5 0 44 469.626 4
Mid Mid (pH 6-8) 4.20 13.72 -49.91 1 5 1 45 470.634 4

Activity (Go SEA)

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