UCSF

ZINC41229337

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) 1.91 5.16 -39.15 2 2 1 20 217.336 1
Lo Low (pH 4.5-6) 1.91 7.32 -116.69 3 2 2 21 218.344 1

Activity (Go SEA)

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