UCSF

ZINC33701233

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 6.60 15.73 -55.32 0 5 -1 70 482.6 10
Lo Low (pH 4.5-6) 6.60 14.44 -16.22 1 5 0 67 483.608 10

Activity (Go SEA)

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