UCSF

ZINC48334744

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 1.45 4.7 -43.57 2 5 1 67 279.36 8
Hi High (pH 8-9.5) 1.45 2.32 -9.5 1 5 0 66 278.352 8

Activity (Go SEA)

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