UCSF

ZINC35697689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 No

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) 0.19 3.67 -16.77 3 5 0 81 281.362 2
Hi High (pH 8-9.5) 0.65 2.35 -46.71 2 5 -1 84 280.354 2

Activity (Go SEA)

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