UCSF

ZINC39792982

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 22 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) 5.22 10.44 -30.72 2 2 1 16 366.367 5
Mid Mid (pH 6-8) 5.22 9.92 -44.14 2 2 1 20 366.367 5

Activity (Go SEA)

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