UCSF

ZINC42273490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 2.32 6.78 -42.54 4 3 1 57 277.432 6
Mid Mid (pH 6-8) 2.32 6.32 -3.91 3 3 0 55 276.424 6

Activity (Go SEA)

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