UCSF

ZINC36734673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 2.63 5.13 -5.71 2 3 0 41 235.356 3
Lo Low (pH 4.5-6) 2.63 5.22 -28.94 3 3 1 42 236.364 3

Activity (Go SEA)

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