UCSF

ZINC34839580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.21 13.73 -47.82 1 7 1 56 480.629 8
Lo Low (pH 4.5-6) 5.21 14.36 -96.71 2 7 2 57 481.637 8

Activity (Go SEA)

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