UCSF

ZINC20072106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 1.94 1.26 -40.74 3 3 1 40 213.345 2
Lo Low (pH 4.5-6) 1.94 4.01 -119.5 4 3 2 41 214.353 2

Activity (Go SEA)

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