UCSF

ZINC40128878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 3.79 8.57 -16.19 1 5 0 76 420.943 5
Hi High (pH 8-9.5) 3.86 6.92 -49.42 0 5 -1 82 419.935 5

Activity (Go SEA)

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