UCSF

ZINC34941844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.09 11.91 -69.46 1 7 0 83 486.568 10
Lo Low (pH 4.5-6) 4.09 11.17 -48.4 2 7 1 81 487.576 10

Activity (Go SEA)

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