UCSF

ZINC00532225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 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) 1.72 8.6 -40.98 1 4 1 40 264.345 5
Hi High (pH 8-9.5) 1.72 6.24 -7.83 0 4 0 39 263.337 5

Activity (Go SEA)

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