UCSF

ZINC33838904

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 28 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) 3.49 7.74 -54.81 3 7 -1 103 386.472 10
Lo Low (pH 4.5-6) 3.49 8.27 -94.16 4 7 0 107 387.48 10

Activity (Go SEA)

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