UCSF

ZINC20551997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 2.42 6.67 -74.37 1 4 0 48 262.353 5
Mid Mid (pH 6-8) 2.42 6.68 -75.76 1 4 0 48 262.353 5
Mid Mid (pH 6-8) 2.42 4.29 -50.3 0 4 -1 47 261.345 5

Activity (Go SEA)

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