UCSF

ZINC25404505

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 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) 3.82 9.16 -35.85 2 3 1 34 295.834 3
Hi High (pH 8-9.5) 3.82 7.01 -10.13 1 3 0 32 294.826 3

Activity (Go SEA)

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