UCSF

ZINC22451092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 9 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) -2.73 -5.93 -118.25 7 4 2 85 136.195 5
Hi High (pH 8-9.5) -2.73 -6.3 -39.33 6 4 1 83 135.187 5

Activity (Go SEA)

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