UCSF

ZINC05505156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 22 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) 3.47 8.15 -11.11 2 5 0 60 320.414 6
Hi High (pH 8-9.5) 2.72 7.09 -36.83 1 5 -1 66 319.406 5

Activity (Go SEA)

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