UCSF

ZINC06490915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 21 No

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) 2.79 8.58 -15.07 1 4 0 47 298.367 2
Mid Mid (pH 6-8) 3.52 8.14 -44.14 0 4 -1 44 297.359 2

Activity (Go SEA)

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