UCSF

ZINC04728998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 23 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) 3.62 8.21 -13.74 2 4 0 97 300.365 1
Lo Low (pH 4.5-6) 3.62 8.05 -60.77 3 4 1 99 301.373 1

Activity (Go SEA)

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