UCSF

ZINC34975851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.52 6.89 -5.31 3 3 0 55 247.729 2
Lo Low (pH 4.5-6) 3.52 6.99 -30.64 4 3 1 56 248.737 2

Activity (Go SEA)

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