UCSF

ZINC23115470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 33 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) -5.09 8.44 -87.52 6 8 2 111 462.635 12
Hi High (pH 8-9.5) -5.09 8.88 -70.81 5 8 1 114 461.627 12

Activity (Go SEA)

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