UCSF

ZINC44831087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) -1.63 0.22 -45.25 3 6 1 85 229.256 8
Hi High (pH 8-9.5) -1.63 -0.23 -12.05 2 6 0 84 228.248 8

Activity (Go SEA)

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