UCSF

ZINC21866930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 2.53 6.53 -19.67 1 5 0 62 334.301 4
Hi High (pH 8-9.5) 2.53 6.47 -45.43 0 5 -1 60 333.293 4

Activity (Go SEA)

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