UCSF

ZINC05894358

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 30 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) 1.94 6.72 -23 2 9 0 120 411.414 9
Hi High (pH 8-9.5) 2.40 5.67 -54.52 1 9 -1 123 410.406 9

Activity (Go SEA)

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