UCSF

ZINC53148883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.85 6.98 -50.36 2 2 1 20 281.782 4
Hi High (pH 8-9.5) 2.85 5.78 -5.41 1 2 0 15 280.774 4

Activity (Go SEA)

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