UCSF

ZINC28476260

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 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) 1.46 9.21 -44.13 1 5 1 45 318.441 8
Hi High (pH 8-9.5) 1.46 6.91 -9.13 0 5 0 44 317.433 8

Activity (Go SEA)

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