UCSF

ZINC55246752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.22 5.79 -40.21 2 5 1 60 375.923 8
Hi High (pH 8-9.5) 3.22 3.27 -10.3 1 5 0 59 374.915 8

Activity (Go SEA)

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