UCSF

ZINC35514850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 5.19 13.32 -11.59 0 6 0 73 438.483 5
Lo Low (pH 4.5-6) 5.19 13.66 -31.14 1 6 1 74 439.491 5

Activity (Go SEA)

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