UCSF

ZINC43395724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.64 8.87 -102.86 4 3 2 45 271.408 5
Mid Mid (pH 6-8) 2.64 8.42 -49.37 3 3 1 44 270.4 5

Activity (Go SEA)

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