UCSF

ZINC33659408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 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) 5.78 16.3 -65.74 2 5 0 74 477.645 11
Lo Low (pH 4.5-6) 5.78 14.32 -38.26 3 5 1 71 478.653 11

Activity (Go SEA)

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