UCSF

ZINC35186049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.14 5.43 -5.36 2 3 0 42 213.284 1
Lo Low (pH 4.5-6) 2.14 5.91 -29.56 3 3 1 43 214.292 1

Activity (Go SEA)

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