UCSF

ZINC42459540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.32 5.75 -61.55 0 6 -1 70 248.262 5
Mid Mid (pH 6-8) 1.32 6.23 -44.86 1 6 0 71 249.27 5

Activity (Go SEA)

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