UCSF

ZINC70459731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.85 1.28 -45.29 4 4 1 60 265.377 5
Lo Low (pH 4.5-6) 0.85 3.56 -111.77 5 4 2 62 266.385 5

Activity (Go SEA)

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