UCSF

ZINC36332627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 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) -1.55 -1 -71.94 3 5 1 82 233.313 1
Hi High (pH 8-9.5) -1.55 -1.29 -20.34 2 5 0 80 232.305 1

Activity (Go SEA)

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