UCSF

ZINC44018464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 46 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) 5.85 17.97 -145.44 4 10 -2 178 620.706 10
Lo Low (pH 4.5-6) 5.85 15.99 -75.07 5 10 -1 175 621.714 10

Activity (Go SEA)

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