UCSF

ZINC59444885

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 15 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) 1.87 4.82 -90.79 4 3 2 42 218.385 8
Hi High (pH 8-9.5) 1.87 3.85 -32.03 3 3 1 38 217.377 8

Activity (Go SEA)

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