UCSF

ZINC33331135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 25 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) 4.37 8.17 -40.99 0 5 -1 63 353.423 5
Lo Low (pH 4.5-6) 4.37 8.87 -12.93 1 5 0 60 354.431 5

Activity (Go SEA)

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