UCSF

ZINC42796717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.15 1.37 -15.78 1 5 0 70 284.259 5
Hi High (pH 8-9.5) 1.60 -0.52 -45.31 0 5 -1 73 283.251 5

Activity (Go SEA)

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