UCSF

ZINC41228945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.48 4.76 -6.04 2 3 0 52 216.284 2
Lo Low (pH 4.5-6) 3.48 4.69 -25.55 3 3 1 53 217.292 2

Activity (Go SEA)

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