UCSF

ZINC05298612

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 8.09 14.97 -31.77 1 2 1 14 342.632 18
Hi High (pH 8-9.5) 8.09 12.68 -0.88 0 2 0 12 341.624 18

Activity (Go SEA)

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