UCSF

ZINC54668076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 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) 3.25 4.25 -6.15 2 3 0 52 222.332 2
Lo Low (pH 4.5-6) 3.25 4.31 -27.5 3 3 1 53 223.34 2

Activity (Go SEA)

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