UCSF

ZINC28200390

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 20 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) 0.14 2.33 -19.61 1 5 0 76 290.344 4
Lo Low (pH 4.5-6) 0.14 2.77 -56.36 2 5 1 77 291.352 4

Activity (Go SEA)

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