UCSF

ZINC37039593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.59 3.22 -103.56 4 4 2 45 269.364 5
Mid Mid (pH 6-8) 0.59 0.96 -47.55 3 4 1 43 268.356 5

Activity (Go SEA)

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