UCSF

ZINC36734589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.77 3.33 -9.06 2 5 0 59 233.319 3
Lo Low (pH 4.5-6) 0.77 3.48 -32.76 3 5 1 60 234.327 3

Activity (Go SEA)

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