UCSF

ZINC20763405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 36 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) 5.09 14.16 -115.6 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 5.09 12.22 -48.88 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 5.09 11.7 -44.03 1 7 1 66 491.608 5

Activity (Go SEA)

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