UCSF

ZINC53148236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 2.92 5.48 -3.64 3 2 0 38 232.714 3
Mid Mid (pH 6-8) 2.92 5.35 -41.56 4 2 1 40 233.722 3

Activity (Go SEA)

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