UCSF

ZINC62826682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 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) 2.35 3.94 -131.09 1 6 -2 104 343.158 4
Lo Low (pH 4.5-6) 2.35 3.81 -45.79 2 6 -1 102 344.166 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.