UCSF

ZINC25457769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 Yes

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) 3.14 7.03 -25.74 2 8 0 93 464.547 6
Lo Low (pH 4.5-6) 3.14 7.37 -45.4 3 8 1 94 465.555 6

Activity (Go SEA)

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