UCSF

ZINC33596235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 3.77 11.45 -47.69 0 5 -1 73 438.29 5
Lo Low (pH 4.5-6) 3.77 10.15 -17.53 1 5 0 71 439.298 5

Activity (Go SEA)

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