UCSF

ZINC34921405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.11 9.59 -55.11 0 7 -1 95 476.921 5
Lo Low (pH 4.5-6) 4.11 8.83 -14.63 1 7 0 93 477.929 5

Activity (Go SEA)

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