UCSF

ZINC37795952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.75 4.99 -47.91 1 6 -1 95 331.16 3
Lo Low (pH 4.5-6) 2.75 3 -10.45 2 6 0 92 332.168 3

Activity (Go SEA)

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