UCSF

ZINC42211150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) -0.55 2.3 -107.05 5 4 2 64 201.314 7
Mid Mid (pH 6-8) -0.55 0.97 -38.11 4 4 1 60 200.306 7
Mid Mid (pH 6-8) -0.55 -0.16 -44.54 4 4 1 63 200.306 7

Activity (Go SEA)

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