UCSF

ZINC42548472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 0.25 4.77 -43.72 2 3 1 44 196.318 8
Mid Mid (pH 6-8) 0.25 6.87 -114.57 3 3 2 45 197.326 8

Activity (Go SEA)

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