UCSF

ZINC53148751

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) 3.54 3.79 -46 4 3 1 57 278.759 4
Hi High (pH 8-9.5) 3.54 2.78 -6.52 3 3 0 52 277.751 4

Activity (Go SEA)

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