UCSF

ZINC33774820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.34 10.5 -52.79 0 8 -1 105 472.521 10
Lo Low (pH 4.5-6) 2.34 9.2 -21.01 1 8 0 102 473.529 10

Activity (Go SEA)

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