UCSF

ZINC34849794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 No

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) 2.95 8.93 -65.54 4 7 1 109 520.675 10
Hi High (pH 8-9.5) 2.95 7.6 -19.85 3 7 0 104 519.667 10

Activity (Go SEA)

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