UCSF

ZINC35234778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 2.67 5.4 -115.19 4 3 2 35 297.531 4
Lo Low (pH 4.5-6) 2.67 6.51 -101.96 4 3 2 35 297.531 4
Lo Low (pH 4.5-6) 2.67 7.8 -196.8 5 3 3 37 298.539 4

Activity (Go SEA)

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