UCSF

ZINC42466928

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) -1.31 2.67 -54.6 2 6 1 66 256.326 3
Mid Mid (pH 6-8) -1.31 1.36 -14.04 1 6 0 62 255.318 3

Activity (Go SEA)

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