UCSF

ZINC28250349

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 31 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) 6.15 15.54 -191.81 3 4 3 17 437.781 12
Hi High (pH 8-9.5) 6.15 13.2 -92.73 2 4 2 15 436.773 12

Activity (Go SEA)

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