UCSF

ZINC13002728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 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) 2.41 2.49 -47.05 2 5 -1 92 257.056 1
Mid Mid (pH 6-8) 2.41 2.56 -33.93 3 5 0 93 258.064 1

Activity (Go SEA)

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