UCSF

ZINC26160575

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 0.16 1.16 -41.38 5 5 1 91 262.333 4
Mid Mid (pH 6-8) 0.16 -1.1 -13.41 4 5 0 89 261.325 4

Activity (Go SEA)

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