UCSF

ZINC45691843

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.99 5.32 -35.29 2 4 1 34 225.36 7
Mid Mid (pH 6-8) 0.99 4.47 -37.67 2 4 1 38 225.36 7
Mid Mid (pH 6-8) 0.99 6.5 -112.81 3 4 2 39 226.368 7

Activity (Go SEA)

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