UCSF

ZINC33670361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 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) 6.71 16.38 -42.76 0 4 -1 60 466.601 7
Lo Low (pH 4.5-6) 6.71 15.25 -15.11 1 4 0 58 467.609 7

Activity (Go SEA)

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