UCSF

ZINC33833669

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 32 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) 8.34 15.46 -51.28 0 2 -1 40 439.704 5
Lo Low (pH 4.5-6) 8.34 13.48 -3.91 1 2 0 37 440.712 5

Activity (Go SEA)

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