UCSF

ZINC42277003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) -0.29 0.54 -44.11 4 6 1 89 258.342 7
Mid Mid (pH 6-8) -0.29 -0.85 -13.41 3 6 0 85 257.334 7

Activity (Go SEA)

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