UCSF

ZINC33686101

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 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) 8.22 15.33 -16.26 0 5 0 56 481.621 2
Ref Reference (pH 7) 8.22 17.99 -16.76 0 5 0 56 481.621 2
Lo Low (pH 4.5-6) 8.22 18.44 -29.33 1 5 1 58 482.629 2

Activity (Go SEA)

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