UCSF

ZINC22061777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 4.47 10.89 -57.43 0 3 -1 57 313.417 5
Lo Low (pH 4.5-6) 4.47 9.79 -12.67 1 3 0 54 314.425 5

Activity (Go SEA)

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