UCSF

ZINC05876126

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 4.60 6.17 -15.85 3 5 0 74 353.809 5
Hi High (pH 8-9.5) 4.60 6.93 -60.32 2 5 -1 77 352.801 5
Lo Low (pH 4.5-6) 4.60 6.48 -42.48 4 5 1 75 354.817 5

Activity (Go SEA)

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