UCSF

ZINC34920166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.55 12.6 -51.85 0 6 -1 77 506.966 5
Lo Low (pH 4.5-6) 5.55 11.86 -12.04 1 6 0 74 507.974 5

Activity (Go SEA)

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