UCSF

ZINC05889394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 16 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) 2.33 3.21 -12.03 2 3 0 49 233.292 2
Hi High (pH 8-9.5) 2.33 3.74 -52.6 2 3 -1 49 232.284 2

Activity (Go SEA)

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