UCSF

ZINC35450575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 Yes

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) 0.71 8.49 -22.45 1 9 0 108 431.452 7
Lo Low (pH 4.5-6) 0.71 8.95 -45.03 2 9 1 109 432.46 7

Activity (Go SEA)

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