UCSF

ZINC44806047

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 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) 1.54 7.26 -116.84 5 4 2 61 293.455 8
Hi High (pH 8-9.5) 1.54 6.87 -36.73 4 4 1 60 292.447 8

Activity (Go SEA)

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