UCSF

ZINC20270276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 0.21 3.66 -82.31 3 3 2 24 187.331 5
Lo Low (pH 4.5-6) 0.21 5.97 -178.03 4 3 3 25 188.339 5
Lo Low (pH 4.5-6) 0.21 4.57 -87.47 3 3 2 21 187.331 5

Activity (Go SEA)

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